3-Acetamidocoumarin
TL;DR: 3-Acetamidocoumarin (CAS 779-30-6) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-oxochromen-3-yl)acetamide
Also Known As: 3-Acetamidocoumarin, N-(2-Oxo-2H-chromen-3-yl)acetamide, N-(2-oxochromen-3-yl)acetamide, 3-acetamido-coumarin, 3-Acetylaminocoumarin
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 779-30-6 |
|---|---|
| SMILES | CC(=O)NC1=CC2=CC=CC=C2OC1=O |
| InChIKey | XJYLCCJIDYSFMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetamidocoumarin (CAS 779-30-6), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: N-(2-oxochromen-3-yl)acetamide.
Chemical Property Profile of 3-Acetamidocoumarin
Property Insights of 3-Acetamidocoumarin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetamidocoumarin. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Acetamidocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetamidocoumarin has 1 hydrogen bond donor(s) and 3 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-Acetamidocoumarin?
The CAS number of 3-Acetamidocoumarin is 779-30-6.
What is the molecular formula of 3-Acetamidocoumarin?
The molecular formula of 3-Acetamidocoumarin is C11H9NO3.
What is the molecular weight of 3-Acetamidocoumarin?
The molecular weight of 3-Acetamidocoumarin is 203.06 g/mol.
Where can I buy 3-Acetamidocoumarin?
You can request a quote for 3-Acetamidocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetamidocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetamidocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.