5-氯水杨醇
TL;DR: 5-氯水杨醇 (CAS 5330-38-1) is a chemical compound with molecular formula C7H7ClO2 and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯水杨醇
4-chloro-2-(hydroxymethyl)phenol
Also Known As: 5-Chlorosalicyl alcohol, 5-Chloro-2-hydroxybenzyl alcohol, 4-chloro-2-(hydroxymethyl)phenol, 5-chlorosaligenin, Benzenemethanol, 5-chloro-2-hydroxy-
| Molecular Formula | C7H7ClO2 |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.01346 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 5330-38-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)CO)O |
| InChIKey | AFPSETMCMFRVPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯水杨醇 (CAS 5330-38-1), with molecular formula C7H7ClO2 and molecular weight 158.01 g/mol. IUPAC: 4-chloro-2-(hydroxymethyl)phenol.
Chemical Property Profile of 5-氯水杨醇
Property Insights of 5-氯水杨醇
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯水杨醇. With a topological polar surface area (TPSA) of 40.5 Ų, 5-氯水杨醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯水杨醇 has 2 hydrogen bond donor(s) and 2 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-氯水杨醇?
The CAS number of 5-氯水杨醇 is 5330-38-1.
What is the molecular formula of 5-氯水杨醇?
The molecular formula of 5-氯水杨醇 is C7H7ClO2.
What is the molecular weight of 5-氯水杨醇?
The molecular weight of 5-氯水杨醇 is 158.01 g/mol.
Where can I buy 5-氯水杨醇?
You can request a quote for 5-氯水杨醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯水杨醇?
Yes, KEHONG BIO provides custom synthesis services for 5-氯水杨醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.