4-Chloro-3-nitrocoumarin
TL;DR: 4-Chloro-3-nitrocoumarin (CAS 38775-52-9) is a chemical compound with molecular formula C9H4ClNO4 and molecular weight 224.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-nitrochromen-2-one
Also Known As: 4-Chloro-3-nitrocoumarin, 4-chloro-3-nitro-2H-chromen-2-one, 4-chloro-3-nitrochromen-2-one, 4-Chloro-3-nitro-chromen-2-one, 3-Nitro-4-chlorocoumarin
| Molecular Formula | C9H4ClNO4 |
|---|---|
| Molecular Weight | 224.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.98288 |
| Heavy Atoms | 15 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 38775-52-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl |
| InChIKey | OFLRQEKOAGDHKT-UHFFFAOYSA-N |
Product Overview
4-Chloro-3-nitrocoumarin (CAS 38775-52-9), with molecular formula C9H4ClNO4 and molecular weight 224.98 g/mol. IUPAC: 4-chloro-3-nitrochromen-2-one.
Chemical Property Profile of 4-Chloro-3-nitrocoumarin
Property Insights of 4-Chloro-3-nitrocoumarin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-nitrocoumarin. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-nitrocoumarin. Following Lipinski's Rule of Five, 4-Chloro-3-nitrocoumarin 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-Chloro-3-nitrocoumarin?
The CAS number of 4-Chloro-3-nitrocoumarin is 38775-52-9.
What is the molecular formula of 4-Chloro-3-nitrocoumarin?
The molecular formula of 4-Chloro-3-nitrocoumarin is C9H4ClNO4.
What is the molecular weight of 4-Chloro-3-nitrocoumarin?
The molecular weight of 4-Chloro-3-nitrocoumarin is 224.98 g/mol.
Where can I buy 4-Chloro-3-nitrocoumarin?
You can request a quote for 4-Chloro-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-3-nitrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-nitrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.