3-氯-4-羟基-5-甲氧基苯甲酸
TL;DR: 3-氯-4-羟基-5-甲氧基苯甲酸 (CAS 62936-23-6) 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.
3-氯-4-羟基-5-甲氧基苯甲酸
3-chloro-4-hydroxy-5-methoxybenzoic acid
Also Known As: 5-CHLOROVANILLIC ACID, 3-CHLORO-4-HYDROXY-5-METHOXYBENZOIC ACID, 5-CHLOROVANILLICACID, 5-chloro-vanillic acid, 3-chloro-4-hydroxy-5-methoxy-benzoic acid
| Molecular Formula | C8H7ClO4 |
|---|---|
| Molecular Weight | 202.00 g/mol |
| LogP | 1.7 |
| 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 | 62936-23-6 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C(=O)O)Cl)O |
| InChIKey | XBRYEHVBBMSSCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯-4-羟基-5-甲氧基苯甲酸 (CAS 62936-23-6), with molecular formula C8H7ClO4 and molecular weight 202.00 g/mol. IUPAC: 3-chloro-4-hydroxy-5-methoxybenzoic acid.
Chemical Property Profile of 3-氯-4-羟基-5-甲氧基苯甲酸
Property Insights of 3-氯-4-羟基-5-甲氧基苯甲酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-4-羟基-5-甲氧基苯甲酸. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氯-4-羟基-5-甲氧基苯甲酸. Following Lipinski's Rule of Five, 3-氯-4-羟基-5-甲氧基苯甲酸 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 3-氯-4-羟基-5-甲氧基苯甲酸?
The CAS number of 3-氯-4-羟基-5-甲氧基苯甲酸 is 62936-23-6.
What is the molecular formula of 3-氯-4-羟基-5-甲氧基苯甲酸?
The molecular formula of 3-氯-4-羟基-5-甲氧基苯甲酸 is C8H7ClO4.
What is the molecular weight of 3-氯-4-羟基-5-甲氧基苯甲酸?
The molecular weight of 3-氯-4-羟基-5-甲氧基苯甲酸 is 202.00 g/mol.
Where can I buy 3-氯-4-羟基-5-甲氧基苯甲酸?
You can request a quote for 3-氯-4-羟基-5-甲氧基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-4-羟基-5-甲氧基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-4-羟基-5-甲氧基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.