4-Azidocoumarin
TL;DR: 4-Azidocoumarin (CAS 42373-56-8) is a chemical compound with molecular formula C9H5N3O2 and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-azidochromen-2-one
Also Known As: 4-azidocoumarin, 4-azidochromen-2-one, 4-azido-2H-chromen-2-one, 4-Azido-2H-1-benzopyran-2-one, NCI60_018891
| Molecular Formula | C9H5N3O2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.03818 |
| Heavy Atoms | 14 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 42373-56-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-] |
| InChIKey | IUICMSYHSPWQPN-UHFFFAOYSA-N |
Product Overview
4-Azidocoumarin (CAS 42373-56-8), with molecular formula C9H5N3O2 and molecular weight 187.04 g/mol. IUPAC: 4-azidochromen-2-one.
Chemical Property Profile of 4-Azidocoumarin
Property Insights of 4-Azidocoumarin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Azidocoumarin. With a topological polar surface area (TPSA) of 40.7 Ų, 4-Azidocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Azidocoumarin has 0 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 4-Azidocoumarin?
The CAS number of 4-Azidocoumarin is 42373-56-8.
What is the molecular formula of 4-Azidocoumarin?
The molecular formula of 4-Azidocoumarin is C9H5N3O2.
What is the molecular weight of 4-Azidocoumarin?
The molecular weight of 4-Azidocoumarin is 187.04 g/mol.
Where can I buy 4-Azidocoumarin?
You can request a quote for 4-Azidocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Azidocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Azidocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.