3-Allophanoylcoumarin
TL;DR: 3-Allophanoylcoumarin (CAS 95876-97-4) is a chemical compound with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-carbamoyl-2-oxochromene-3-carboxamide
Also Known As: 3-Allophanoylcoumarin, Coumarin, 3-allophanoyl-, NIOSH/GN4918000, N-carbamoyl-2-oxochromene-3-carboxamide, N-[(2-oxo-2H-chromen-3-yl)carbonyl]urea
| Molecular Formula | C11H8N2O4 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 0.6015 |
| Topological Polar Surface Area | 102.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.0484 |
| Heavy Atoms | 17 |
| Complexity | 659.81415 |
Chemical Identifiers
| CAS Number | 95876-97-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC(=O)N |
Product Overview
3-Allophanoylcoumarin (CAS 95876-97-4), with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol. IUPAC: N-carbamoyl-2-oxochromene-3-carboxamide.
Chemical Property Profile of 3-Allophanoylcoumarin
Property Insights of 3-Allophanoylcoumarin
The XLogP value of 0.6015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allophanoylcoumarin. The TPSA of 102.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allophanoylcoumarin. Following Lipinski's Rule of Five, 3-Allophanoylcoumarin has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Allophanoylcoumarin?
The CAS number of 3-Allophanoylcoumarin is 95876-97-4.
What is the molecular formula of 3-Allophanoylcoumarin?
The molecular formula of 3-Allophanoylcoumarin is C11H8N2O4.
What is the molecular weight of 3-Allophanoylcoumarin?
The molecular weight of 3-Allophanoylcoumarin is 232.05 g/mol.
Where can I buy 3-Allophanoylcoumarin?
You can request a quote for 3-Allophanoylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allophanoylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Allophanoylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.