4-Chloro-5-methoxy-2-nitrobenzoic acid
TL;DR: 4-Chloro-5-methoxy-2-nitrobenzoic acid (CAS 18734-73-1) is a chemical compound with molecular formula C8H6ClNO5 and molecular weight 230.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-methoxy-2-nitrobenzoic acid
Also Known As: 4-chloro-5-methoxy-2-nitrobenzoic acid, Benzoic acid, 4-chloro-5-methoxy-2-nitro-, 4-chloro-5-methoxy-2-nitro-benzoic Acid, 4-chloro-5-methoxy-2-nitrobenzoicacid, 2-Nitro-5-methoxy-4-chlorobenzoic acid
| Molecular Formula | C8H6ClNO5 |
|---|---|
| Molecular Weight | 230.99 g/mol |
| LogP | 1.955 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.99345 |
| Heavy Atoms | 15 |
| Complexity | 431.28537 |
Chemical Identifiers
| CAS Number | 18734-73-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])Cl |
Product Overview
4-Chloro-5-methoxy-2-nitrobenzoic acid (CAS 18734-73-1), with molecular formula C8H6ClNO5 and molecular weight 230.99 g/mol. IUPAC: 4-chloro-5-methoxy-2-nitrobenzoic acid.
Chemical Property Profile of 4-Chloro-5-methoxy-2-nitrobenzoic acid
Property Insights of 4-Chloro-5-methoxy-2-nitrobenzoic acid
The XLogP value of 1.955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-5-methoxy-2-nitrobenzoic acid. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-5-methoxy-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Chloro-5-methoxy-2-nitrobenzoic acid has 1 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-5-methoxy-2-nitrobenzoic acid?
The CAS number of 4-Chloro-5-methoxy-2-nitrobenzoic acid is 18734-73-1.
What is the molecular formula of 4-Chloro-5-methoxy-2-nitrobenzoic acid?
The molecular formula of 4-Chloro-5-methoxy-2-nitrobenzoic acid is C8H6ClNO5.
What is the molecular weight of 4-Chloro-5-methoxy-2-nitrobenzoic acid?
The molecular weight of 4-Chloro-5-methoxy-2-nitrobenzoic acid is 230.99 g/mol.
Where can I buy 4-Chloro-5-methoxy-2-nitrobenzoic acid?
You can request a quote for 4-Chloro-5-methoxy-2-nitrobenzoic 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-5-methoxy-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-5-methoxy-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.