4-氯-3-羟基-2-萘甲酸
TL;DR: 4-氯-3-羟基-2-萘甲酸 (CAS 56961-90-1) is a chemical compound with molecular formula C11H7ClO3 and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-3-羟基-2-萘甲酸
4-chloro-3-hydroxynaphthalene-2-carboxylic acid
Also Known As: 2-Naphthalenecarboxylic acid, 4-chloro-3-hydroxy-, 4-chloro-3-hydroxy-2-naphthoic acid, 4-chloro-3-hydroxynaphthalene-2-carboxylic acid, 1-chloro-2-hydroxy-3-naphthoic acid, 4-Chloro-3-hydroxy-2-naphthalenecarboxylic acid
| Molecular Formula | C11H7ClO3 |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00838 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 56961-90-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=C2Cl)O)C(=O)O |
| InChIKey | FGPKSIXNTNDIJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-3-羟基-2-萘甲酸 (CAS 56961-90-1), with molecular formula C11H7ClO3 and molecular weight 222.01 g/mol. IUPAC: 4-chloro-3-hydroxynaphthalene-2-carboxylic acid.
Chemical Property Profile of 4-氯-3-羟基-2-萘甲酸
Property Insights of 4-氯-3-羟基-2-萘甲酸
The XLogP value of 3.5 indicates that 4-氯-3-羟基-2-萘甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 4-氯-3-羟基-2-萘甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-3-羟基-2-萘甲酸 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 4-氯-3-羟基-2-萘甲酸?
The CAS number of 4-氯-3-羟基-2-萘甲酸 is 56961-90-1.
What is the molecular formula of 4-氯-3-羟基-2-萘甲酸?
The molecular formula of 4-氯-3-羟基-2-萘甲酸 is C11H7ClO3.
What is the molecular weight of 4-氯-3-羟基-2-萘甲酸?
The molecular weight of 4-氯-3-羟基-2-萘甲酸 is 222.01 g/mol.
Where can I buy 4-氯-3-羟基-2-萘甲酸?
You can request a quote for 4-氯-3-羟基-2-萘甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-3-羟基-2-萘甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-3-羟基-2-萘甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.