4-Chloro-7-methoxy-3-nitrocoumarin
TL;DR: 4-Chloro-7-methoxy-3-nitrocoumarin (CAS 720676-41-5) is a chemical compound with molecular formula C10H6ClNO5 and molecular weight 254.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-7-methoxy-3-nitrochromen-2-one
Also Known As: 4-CHLORO-7-METHOXY-3-NITROCOUMARIN, 4-chloro-7-methoxy-3-nitrochromen-2-one
| Molecular Formula | C10H6ClNO5 |
|---|---|
| Molecular Weight | 254.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.99345 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 720676-41-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl |
| InChIKey | DREANCBZYHJXQP-UHFFFAOYSA-N |
Product Overview
4-Chloro-7-methoxy-3-nitrocoumarin (CAS 720676-41-5), with molecular formula C10H6ClNO5 and molecular weight 254.99 g/mol. IUPAC: 4-chloro-7-methoxy-3-nitrochromen-2-one.
Chemical Property Profile of 4-Chloro-7-methoxy-3-nitrocoumarin
Property Insights of 4-Chloro-7-methoxy-3-nitrocoumarin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-7-methoxy-3-nitrocoumarin. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-7-methoxy-3-nitrocoumarin. Following Lipinski's Rule of Five, 4-Chloro-7-methoxy-3-nitrocoumarin has 0 hydrogen bond donor(s) and 5 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-Chloro-7-methoxy-3-nitrocoumarin?
The CAS number of 4-Chloro-7-methoxy-3-nitrocoumarin is 720676-41-5.
What is the molecular formula of 4-Chloro-7-methoxy-3-nitrocoumarin?
The molecular formula of 4-Chloro-7-methoxy-3-nitrocoumarin is C10H6ClNO5.
What is the molecular weight of 4-Chloro-7-methoxy-3-nitrocoumarin?
The molecular weight of 4-Chloro-7-methoxy-3-nitrocoumarin is 254.99 g/mol.
Where can I buy 4-Chloro-7-methoxy-3-nitrocoumarin?
You can request a quote for 4-Chloro-7-methoxy-3-nitrocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-7-methoxy-3-nitrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-7-methoxy-3-nitrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.