Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester
TL;DR: Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester (CAS 67828-69-7) is a chemical compound with molecular formula C8H7ClO4 and molecular weight 202.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-2,4-dihydroxybenzoate
Also Known As: Methyl 3-chloro-4,6-dihydroxybenzoate, methyl 5-chloro-2,4-dihydroxybenzoate, Methyl 5-chloro-4-hydroxysalicylate, Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester, methyl5-chloro-4-hydroxysalicylate
| Molecular Formula | C8H7ClO4 |
|---|---|
| Molecular Weight | 202.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.00328 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 67828-69-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1O)O)Cl |
| InChIKey | FWVVYIBOMRGUOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester (CAS 67828-69-7), with molecular formula C8H7ClO4 and molecular weight 202.00 g/mol. IUPAC: methyl 5-chloro-2,4-dihydroxybenzoate.
Chemical Property Profile of Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester
Property Insights of Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester has 2 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 Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester?
The CAS number of Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester is 67828-69-7.
What is the molecular formula of Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester?
The molecular formula of Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester is C8H7ClO4.
What is the molecular weight of Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester?
The molecular weight of Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester is 202.00 g/mol.
Where can I buy Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester?
You can request a quote for Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-chloro-2,4-dihydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.