Benzoyleneurea - CAS 86-96-4
Catalog: |
BB038144 |
Product Name: |
Benzoyleneurea |
CAS: |
86-96-4 |
Synonyms: |
1H-quinazoline-2,4-dione |
IUPAC Name: | 1H-quinazoline-2,4-dione |
Description: | Benzoyleneurea (CAS# 86-96-4) is a building block used in many fragment-based drug design. Benzouracil is an alkaloid from marine bryozoan. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)NC(=O)N2 |
InChI: | InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) |
InChI Key: | SDQJTWBNWQABLE-UHFFFAOYSA-N |
Boiling Point: | 491.9 °C at 760 mmHg |
Melting Point: | 300 °C |
Purity: | 98 % |
Density: | 1.336 g/cm3 |
Solubility: | >24.3 [ug/mL] (The mean of the results at pH 7.4) |
Appearance: | White to light pink fluffy powder |
MDL: | MFCD00006699 |
LogP: | 0.21640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113477052-A | Aminoethylated piperazine, preparation method thereof, carbon dioxide absorbent and application thereof | 20210715 |
CN-113501796-A | Aminoethylated piperazine and preparation method thereof | 20210715 |
CN-112957896-A | Novel aliphatic polyamine solution for capturing carbon dioxide in mixed gas and application thereof | 20210208 |
CN-112778219-A | Method for preparing 2,4- (1H,3H) -quinazoline diketone compound | 20210127 |
CN-112624984-A | 4-thio quinazoline diketone derivative and preparation method thereof | 20201224 |
PMID | Publication Date | Title | Journal |
23146716 | 20130101 | Ligand-independent androgen receptor antagonism caused by the newly developed pesticide pyrifluquinazon (PFQ) | Reproductive toxicology (Elmsford, N.Y.) |
22985960 | 20121015 | Identification and development of the 1,4-benzodiazepin-2-one and quinazoline-2,4-dione scaffolds as submicromolar inhibitors of HAT | Bioorganic & medicinal chemistry |
22719629 | 20120601 | 1-{[(2,3-Dihydro-1H-inden-2-yl)-oxy]meth-yl}quinazoline-2,4(1H,3H)-dione | Acta crystallographica. Section E, Structure reports online |
22197388 | 20120115 | 6-Amino quinazolinedione sulfonamides as orally active competitive AMPA receptor antagonists | Bioorganic & medicinal chemistry letters |
22126453 | 20120110 | Drug interactions with Bacillus anthracis topoisomerase IV: biochemical basis for quinolone action and resistance | Biochemistry |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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