5-氯-2-羟基苯甲酸甲酯
TL;DR: 5-氯-2-羟基苯甲酸甲酯 (CAS 4068-78-4) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-2-羟基苯甲酸甲酯
methyl 5-chloro-2-hydroxybenzoate
Also Known As: Methyl 5-chloro-2-hydroxybenzoate, Methyl 5-chlorosalicylate, methyl-5-chlorosalicylate, methyl 5-chloro-salicylate, methyl-5-chloro-salicylate
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 4068-78-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)O |
| InChIKey | KJWHRMZKJXOWFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-2-羟基苯甲酸甲酯 (CAS 4068-78-4), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: methyl 5-chloro-2-hydroxybenzoate.
Chemical Property Profile of 5-氯-2-羟基苯甲酸甲酯
Property Insights of 5-氯-2-羟基苯甲酸甲酯
The XLogP value of 3.6 indicates that 5-氯-2-羟基苯甲酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-氯-2-羟基苯甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯-2-羟基苯甲酸甲酯 has 1 hydrogen bond donor(s) and 3 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 5-氯-2-羟基苯甲酸甲酯?
The CAS number of 5-氯-2-羟基苯甲酸甲酯 is 4068-78-4.
What is the molecular formula of 5-氯-2-羟基苯甲酸甲酯?
The molecular formula of 5-氯-2-羟基苯甲酸甲酯 is C8H7ClO3.
What is the molecular weight of 5-氯-2-羟基苯甲酸甲酯?
The molecular weight of 5-氯-2-羟基苯甲酸甲酯 is 186.01 g/mol.
Where can I buy 5-氯-2-羟基苯甲酸甲酯?
You can request a quote for 5-氯-2-羟基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-2-羟基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-2-羟基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.