4-Chloro-2-methyl-3,5-dinitrobenzoic acid
TL;DR: 4-Chloro-2-methyl-3,5-dinitrobenzoic acid (CAS 40319-46-8) is a chemical compound with molecular formula C8H5ClN2O6 and molecular weight 259.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methyl-3,5-dinitrobenzoic acid
Also Known As: 4-chloro-2-methyl-3,5-dinitrobenzoic acid, 4-chloro-2-methyl-3,5-dinitro-benzoic Acid
| Molecular Formula | C8H5ClN2O6 |
|---|---|
| Molecular Weight | 259.98 g/mol |
| LogP | 2.16302 |
| Topological Polar Surface Area | 123.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.9836 |
| Heavy Atoms | 17 |
| Complexity | 503.05722 |
Chemical Identifiers
| CAS Number | 40319-46-8 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])Cl)[N+](=O)[O-] |
Product Overview
4-Chloro-2-methyl-3,5-dinitrobenzoic acid (CAS 40319-46-8), with molecular formula C8H5ClN2O6 and molecular weight 259.98 g/mol. IUPAC: 4-chloro-2-methyl-3,5-dinitrobenzoic acid.
Chemical Property Profile of 4-Chloro-2-methyl-3,5-dinitrobenzoic acid
Property Insights of 4-Chloro-2-methyl-3,5-dinitrobenzoic acid
The XLogP value of 2.16302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-methyl-3,5-dinitrobenzoic acid. The TPSA of 123.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-methyl-3,5-dinitrobenzoic acid. Following Lipinski's Rule of Five, 4-Chloro-2-methyl-3,5-dinitrobenzoic acid has 1 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-2-methyl-3,5-dinitrobenzoic acid?
The CAS number of 4-Chloro-2-methyl-3,5-dinitrobenzoic acid is 40319-46-8.
What is the molecular formula of 4-Chloro-2-methyl-3,5-dinitrobenzoic acid?
The molecular formula of 4-Chloro-2-methyl-3,5-dinitrobenzoic acid is C8H5ClN2O6.
What is the molecular weight of 4-Chloro-2-methyl-3,5-dinitrobenzoic acid?
The molecular weight of 4-Chloro-2-methyl-3,5-dinitrobenzoic acid is 259.98 g/mol.
Where can I buy 4-Chloro-2-methyl-3,5-dinitrobenzoic acid?
You can request a quote for 4-Chloro-2-methyl-3,5-dinitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-methyl-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methyl-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.