1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone
TL;DR: 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone (CAS 50317-52-7) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]ethanone
Also Known As: 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone, 1-[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]ethanone, 1-[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]ethan-1-one, 1-(5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethan-1-one
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 1.7405 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 346.9582 |
Chemical Identifiers
| CAS Number | 50317-52-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC(=C1O)CO)Cl |
Product Overview
1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone (CAS 50317-52-7), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: 1-[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]ethanone.
Chemical Property Profile of 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone
Property Insights of 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone
The XLogP value of 1.7405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone. With a topological polar surface area (TPSA) of 57.53 Ų, 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone 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 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone?
The CAS number of 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone is 50317-52-7.
What is the molecular formula of 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone?
The molecular formula of 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone is C9H9ClO3.
What is the molecular weight of 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone?
The molecular weight of 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone is 200.02 g/mol.
Where can I buy 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone?
You can request a quote for 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.