4-氯水杨酸
TL;DR: 4-氯水杨酸 (CAS 5106-98-9) is a chemical compound with molecular formula C7H5ClO3 and molecular weight 171.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯水杨酸
4-chloro-2-hydroxybenzoic acid
Also Known As: 4-Chlorosalicylic acid, 4-Chloro-2-hydroxybenzoic acid, 4-chloro salicylic acid, 4-Chlorosalicylicacid, Benzoic acid, 4-chloro-2-hydroxy-
| Molecular Formula | C7H5ClO3 |
|---|---|
| Molecular Weight | 171.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.99272 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 5106-98-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)O)C(=O)O |
| InChIKey | LWXFCZXRFBUOOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯水杨酸 (CAS 5106-98-9), with molecular formula C7H5ClO3 and molecular weight 171.99 g/mol. IUPAC: 4-chloro-2-hydroxybenzoic acid.
Chemical Property Profile of 4-氯水杨酸
Property Insights of 4-氯水杨酸
The XLogP value of 3.1 indicates that 4-氯水杨酸 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-氯水杨酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯水杨酸 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-氯水杨酸?
The CAS number of 4-氯水杨酸 is 5106-98-9.
What is the molecular formula of 4-氯水杨酸?
The molecular formula of 4-氯水杨酸 is C7H5ClO3.
What is the molecular weight of 4-氯水杨酸?
The molecular weight of 4-氯水杨酸 is 171.99 g/mol.
Where can I buy 4-氯水杨酸?
You can request a quote for 4-氯水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氯水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.