2-Chloro-3',4'-dihydroxyacetophenone
TL;DR: 2-Chloro-3',4'-dihydroxyacetophenone (CAS 99-40-1) 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.
2-chloro-1-(3,4-dihydroxyphenyl)ethanone
Also Known As: 2-Chloro-3',4'-dihydroxyacetophenone, 4-(Chloroacetyl)catechol, 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone, 3,4-Dihydroxyphenacyl chloride, Chloracetyl catechol
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 99-40-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)CCl)O)O |
| InChIKey | LWTJEJCZJFZKEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3',4'-dihydroxyacetophenone (CAS 99-40-1), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 2-chloro-1-(3,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 2-Chloro-3',4'-dihydroxyacetophenone
Property Insights of 2-Chloro-3',4'-dihydroxyacetophenone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3',4'-dihydroxyacetophenone. With a topological polar surface area (TPSA) of 57.5 Ų, 2-Chloro-3',4'-dihydroxyacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3',4'-dihydroxyacetophenone 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 2-Chloro-3',4'-dihydroxyacetophenone?
The CAS number of 2-Chloro-3',4'-dihydroxyacetophenone is 99-40-1.
What is the molecular formula of 2-Chloro-3',4'-dihydroxyacetophenone?
The molecular formula of 2-Chloro-3',4'-dihydroxyacetophenone is C8H7ClO3.
What is the molecular weight of 2-Chloro-3',4'-dihydroxyacetophenone?
The molecular weight of 2-Chloro-3',4'-dihydroxyacetophenone is 186.01 g/mol.
Where can I buy 2-Chloro-3',4'-dihydroxyacetophenone?
You can request a quote for 2-Chloro-3',4'-dihydroxyacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3',4'-dihydroxyacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3',4'-dihydroxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.