1,4-Benzenediol, 2-chloro-, 4-acetate
TL;DR: 1,4-Benzenediol, 2-chloro-, 4-acetate (CAS 62489-80-9) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-hydroxyphenyl) acetate
Also Known As: 4-acetoxychlorophenol, 3-chloro-4-hydroxyphenyl acetate, 1,4-Benzenediol, 2-chloro-, 4-acetate, (3-chloro-4-hydroxyphenyl) acetate, (3-chloro-4-hydroxy-phenyl) Acetate
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 62489-80-9 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)O)Cl |
| InChIKey | BQJAOUDVLHKZQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediol, 2-chloro-, 4-acetate (CAS 62489-80-9), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: (3-chloro-4-hydroxyphenyl) acetate.
Chemical Property Profile of 1,4-Benzenediol, 2-chloro-, 4-acetate
Property Insights of 1,4-Benzenediol, 2-chloro-, 4-acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediol, 2-chloro-, 4-acetate. With a topological polar surface area (TPSA) of 46.5 Ų, 1,4-Benzenediol, 2-chloro-, 4-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2-chloro-, 4-acetate has 1 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 1,4-Benzenediol, 2-chloro-, 4-acetate?
The CAS number of 1,4-Benzenediol, 2-chloro-, 4-acetate is 62489-80-9.
What is the molecular formula of 1,4-Benzenediol, 2-chloro-, 4-acetate?
The molecular formula of 1,4-Benzenediol, 2-chloro-, 4-acetate is C8H7ClO3.
What is the molecular weight of 1,4-Benzenediol, 2-chloro-, 4-acetate?
The molecular weight of 1,4-Benzenediol, 2-chloro-, 4-acetate is 186.01 g/mol.
Where can I buy 1,4-Benzenediol, 2-chloro-, 4-acetate?
You can request a quote for 1,4-Benzenediol, 2-chloro-, 4-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, 2-chloro-, 4-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 2-chloro-, 4-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.