1-(4-Chlorophenyl)ethane-1,2-diol
TL;DR: 1-(4-Chlorophenyl)ethane-1,2-diol (CAS 7477-64-7) is a chemical compound with molecular formula C8H9ClO2 and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)ethane-1,2-diol
Also Known As: 1-(4-Chlorophenyl)ethane-1,2-diol, 1- ethane-1,2-diol, 1-(4-Chlorophenyl)-1,2-ethanediol, 1-(p-chlorophenyl)-1,2-ethanediol, p-chlorophenyl-1,2-ethanediol
| Molecular Formula | C8H9ClO2 |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.02911 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 7477-64-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CO)O)Cl |
| InChIKey | QIVMDIMEYSDOSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)ethane-1,2-diol (CAS 7477-64-7), with molecular formula C8H9ClO2 and molecular weight 172.03 g/mol. IUPAC: 1-(4-chlorophenyl)ethane-1,2-diol.
Chemical Property Profile of 1-(4-Chlorophenyl)ethane-1,2-diol
Property Insights of 1-(4-Chlorophenyl)ethane-1,2-diol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)ethane-1,2-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(4-Chlorophenyl)ethane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)ethane-1,2-diol 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 1-(4-Chlorophenyl)ethane-1,2-diol?
The CAS number of 1-(4-Chlorophenyl)ethane-1,2-diol is 7477-64-7.
What is the molecular formula of 1-(4-Chlorophenyl)ethane-1,2-diol?
The molecular formula of 1-(4-Chlorophenyl)ethane-1,2-diol is C8H9ClO2.
What is the molecular weight of 1-(4-Chlorophenyl)ethane-1,2-diol?
The molecular weight of 1-(4-Chlorophenyl)ethane-1,2-diol is 172.03 g/mol.
Where can I buy 1-(4-Chlorophenyl)ethane-1,2-diol?
You can request a quote for 1-(4-Chlorophenyl)ethane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)ethane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)ethane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.