4,6-Dichloro-7-methyl-3-nitrocoumarin
TL;DR: 4,6-Dichloro-7-methyl-3-nitrocoumarin (CAS 720673-01-8) is a chemical compound with molecular formula C10H5Cl2NO4 and molecular weight 272.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-7-methyl-3-nitrochromen-2-one
Also Known As: 4,6-DICHLORO-7-METHYL-3-NITROCOUMARIN, 4,6-dichloro-7-methyl-3-nitrochromen-2-one
| Molecular Formula | C10H5Cl2NO4 |
|---|---|
| Molecular Weight | 272.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.95956 |
| Heavy Atoms | 17 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 720673-01-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=C(C(=O)O2)[N+](=O)[O-])Cl |
| InChIKey | IUKUFEBYXNMGLE-UHFFFAOYSA-N |
Product Overview
4,6-Dichloro-7-methyl-3-nitrocoumarin (CAS 720673-01-8), with molecular formula C10H5Cl2NO4 and molecular weight 272.96 g/mol. IUPAC: 4,6-dichloro-7-methyl-3-nitrochromen-2-one.
Chemical Property Profile of 4,6-Dichloro-7-methyl-3-nitrocoumarin
Property Insights of 4,6-Dichloro-7-methyl-3-nitrocoumarin
The XLogP value of 3.3 indicates that 4,6-Dichloro-7-methyl-3-nitrocoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dichloro-7-methyl-3-nitrocoumarin. Following Lipinski's Rule of Five, 4,6-Dichloro-7-methyl-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 4,6-Dichloro-7-methyl-3-nitrocoumarin?
The CAS number of 4,6-Dichloro-7-methyl-3-nitrocoumarin is 720673-01-8.
What is the molecular formula of 4,6-Dichloro-7-methyl-3-nitrocoumarin?
The molecular formula of 4,6-Dichloro-7-methyl-3-nitrocoumarin is C10H5Cl2NO4.
What is the molecular weight of 4,6-Dichloro-7-methyl-3-nitrocoumarin?
The molecular weight of 4,6-Dichloro-7-methyl-3-nitrocoumarin is 272.96 g/mol.
Where can I buy 4,6-Dichloro-7-methyl-3-nitrocoumarin?
You can request a quote for 4,6-Dichloro-7-methyl-3-nitrocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichloro-7-methyl-3-nitrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-7-methyl-3-nitrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.