5-氯-3-乙基-2-羟基苯甲酸
TL;DR: 5-氯-3-乙基-2-羟基苯甲酸 (CAS 53347-09-4) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-3-乙基-2-羟基苯甲酸
5-chloro-3-ethyl-2-hydroxybenzoic acid
Also Known As: 5-Chloro-3-ethyl-2-hydroxybenzoic acid, BENZOIC ACID, 5-CHLORO-3-ETHYL-2-HYDROXY-, 5-Chlor-2-hydroxy-3-aethylbenzoesaeure, BRN 2721138, RefChem:327680
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 53347-09-4 |
|---|---|
| SMILES | CCC1=C(C(=CC(=C1)Cl)C(=O)O)O |
| InChIKey | AWOQTWNNQUVGAG-UHFFFAOYSA-N |
Product Overview
5-氯-3-乙基-2-羟基苯甲酸 (CAS 53347-09-4), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: 5-chloro-3-ethyl-2-hydroxybenzoic acid.
Chemical Property Profile of 5-氯-3-乙基-2-羟基苯甲酸
Property Insights of 5-氯-3-乙基-2-羟基苯甲酸
The XLogP value of 3.1 indicates that 5-氯-3-乙基-2-羟基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 5-氯-3-乙基-2-羟基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯-3-乙基-2-羟基苯甲酸 has 2 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-3-乙基-2-羟基苯甲酸?
The CAS number of 5-氯-3-乙基-2-羟基苯甲酸 is 53347-09-4.
What is the molecular formula of 5-氯-3-乙基-2-羟基苯甲酸?
The molecular formula of 5-氯-3-乙基-2-羟基苯甲酸 is C9H9ClO3.
What is the molecular weight of 5-氯-3-乙基-2-羟基苯甲酸?
The molecular weight of 5-氯-3-乙基-2-羟基苯甲酸 is 200.02 g/mol.
Where can I buy 5-氯-3-乙基-2-羟基苯甲酸?
You can request a quote for 5-氯-3-乙基-2-羟基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-3-乙基-2-羟基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-3-乙基-2-羟基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.