Methyl 3-chloro-4-hydroxy-5-methoxybenzoate
TL;DR: Methyl 3-chloro-4-hydroxy-5-methoxybenzoate (CAS 1205-50-1) is a chemical compound with molecular formula C9H9ClO4 and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-4-hydroxy-5-methoxybenzoate
Also Known As: Methyl 3-chloro-4-hydroxy-5-methoxybenzoate, 3-Chloro-4-hydroxy-5-methoxy-benzoic acid methyl ester, Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-, methyl ester, Benzoic acid,3-chloro-4-hydroxy-5-methoxy-, methyl ester, 3-Chloro-4-hydroxy-5-methoxybenzoic acid methyl ester
| Molecular Formula | C9H9ClO4 |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.01894 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 1205-50-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C(=O)OC)Cl)O |
| InChIKey | ONPNTTNXLNYIJM-UHFFFAOYSA-N |
Product Overview
Methyl 3-chloro-4-hydroxy-5-methoxybenzoate (CAS 1205-50-1), with molecular formula C9H9ClO4 and molecular weight 216.02 g/mol. IUPAC: methyl 3-chloro-4-hydroxy-5-methoxybenzoate.
Chemical Property Profile of Methyl 3-chloro-4-hydroxy-5-methoxybenzoate
Property Insights of Methyl 3-chloro-4-hydroxy-5-methoxybenzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloro-4-hydroxy-5-methoxybenzoate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 3-chloro-4-hydroxy-5-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloro-4-hydroxy-5-methoxybenzoate 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 Methyl 3-chloro-4-hydroxy-5-methoxybenzoate?
The CAS number of Methyl 3-chloro-4-hydroxy-5-methoxybenzoate is 1205-50-1.
What is the molecular formula of Methyl 3-chloro-4-hydroxy-5-methoxybenzoate?
The molecular formula of Methyl 3-chloro-4-hydroxy-5-methoxybenzoate is C9H9ClO4.
What is the molecular weight of Methyl 3-chloro-4-hydroxy-5-methoxybenzoate?
The molecular weight of Methyl 3-chloro-4-hydroxy-5-methoxybenzoate is 216.02 g/mol.
Where can I buy Methyl 3-chloro-4-hydroxy-5-methoxybenzoate?
You can request a quote for Methyl 3-chloro-4-hydroxy-5-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloro-4-hydroxy-5-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-4-hydroxy-5-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.