Entecavir-9 is a useful organic compound for research related to life sciences.

Physicochemical Properties

Molecular Formula	C26H27N5O3
Molecular Weight	457.534
Exact Mass	457.211
CAS #	142217-81-0
PubChem CID	135565404
Appearance	Typically exists as solid at room temperature
Density	1.3±0.1 g/cm3
Index of Refraction	1.679
LogP	3.97
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	34
Complexity	762
Defined Atom Stereocenter Count	3
SMILES	C=C1[C@H](C[C@@H]([C@H]1COCC2=CC=CC=C2)OCC3=CC=CC=C3)N4C=NC5=C4N=C(NC5=O)N
InChi Key	KROVOOOAPHSWCR-FKBYEOEOSA-N
InChi Code	InChI=1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1
Chemical Name	2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Solubility Data

Solubility (In Vitro)

DMSO : ~55 mg/mL (~198.35 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.75mg/ml (9.92mM) in 5%DMSO + 40%PEG300 + 5%Tween 80 + 50%ddH2O (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, Taking 1 mL of working solution as an example, take 50 μ L of clear DMSO stock solution at a concentration of 55mg/ml and add it to 400 μ L of EG300. Mix well to make it clear; Add 50 μ L Tween80 to the above system and mix evenly to clarify it; Then continue to add 500 μ L of ddH2O to a constant volume of 1mL. Solubility in Formulation 2: 0.34mg/ml (1.23mM) in 5% DMSO + 95% Corn oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, Taking 1 mL of working solution as an example, take 50 μ Add 6.8mg/ml of clarified DMSO stock solution to 950 μ Mix evenly in L corn oil.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1856 mL	10.9282 mL	21.8565 mL
	5 mM	0.4371 mL	2.1856 mL	4.3713 mL
	10 mM	0.2186 mL	1.0928 mL	2.1856 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.