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Benzoyleneurea 86-96-4

Benzoyleneurea 86-96-4

CAS No.: 86-96-4

Benzoyleneurea possesses antimicrobial effect. Benzoyleneurea scaffolds are often used as inhibitors for the synthesis o
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Benzoyleneurea possesses antimicrobial effect. Benzoyleneurea scaffolds are often used as inhibitors for the synthesis of novel PGGTase-I.

Physicochemical Properties


Molecular Formula C8H6N2O2
Molecular Weight 162.14544
Exact Mass 162.042
CAS # 86-96-4
PubChem CID 64048
Appearance Typically exists as solid at room temperature
Density 1.3±0.1 g/cm3
Boiling Point 491.9ºC at 760 mmHg
Melting Point 300 °C(lit.)
Index of Refraction 1.587
LogP 0.55
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Heavy Atom Count 12
Complexity 227
Defined Atom Stereocenter Count 0
SMILES

O=C1NC2C(=CC=CC=2)C(=O)N1

InChi Key SDQJTWBNWQABLE-UHFFFAOYSA-N
InChi Code

InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
Chemical Name

1H-quinazoline-2,4-dione
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


Additional Infomation 1H-Quinazoline-2,4-dione is a member of quinazolines.
Benzoyleneurea has been reported in Streptomyces with data available.

Solubility Data


Solubility (In Vitro) DMSO : ~43.33 mg/mL (~267.22 mM)
H2O : < 0.1 mg/mL
Solubility (In Vivo) Solubility in Formulation 1: ≥ 3.25 mg/mL (20.04 mM) (saturation unknown) in 10% DMSO + 90% 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, you can add 100 μL of 32.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.1671 mL 30.8356 mL 61.6713 mL
5 mM 1.2334 mL 6.1671 mL 12.3343 mL
10 mM 0.6167 mL 3.0836 mL 6.1671 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.