Pyrocatechol, 3-chloroacetyl-
TL;DR: Pyrocatechol, 3-chloroacetyl- (CAS 63704-55-2) 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-(2,3-dihydroxyphenyl)ethanone
Also Known As: 2-chloro-1-(2,3-dihydroxyphenyl)ethanone, 3-Chloroacetylcatechol, m-Chloroacetylcatechol, Chloroacetocatechol, Pyrocatechol, 3-chloroacetyl-
| 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 | 63704-55-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)CCl |
| InChIKey | CNOGWTRHJRGQKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrocatechol, 3-chloroacetyl- (CAS 63704-55-2), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 2-chloro-1-(2,3-dihydroxyphenyl)ethanone.
Chemical Property Profile of Pyrocatechol, 3-chloroacetyl-
Property Insights of Pyrocatechol, 3-chloroacetyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrocatechol, 3-chloroacetyl-. With a topological polar surface area (TPSA) of 57.5 Ų, Pyrocatechol, 3-chloroacetyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrocatechol, 3-chloroacetyl- 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 Pyrocatechol, 3-chloroacetyl-?
The CAS number of Pyrocatechol, 3-chloroacetyl- is 63704-55-2.
What is the molecular formula of Pyrocatechol, 3-chloroacetyl-?
The molecular formula of Pyrocatechol, 3-chloroacetyl- is C8H7ClO3.
What is the molecular weight of Pyrocatechol, 3-chloroacetyl-?
The molecular weight of Pyrocatechol, 3-chloroacetyl- is 186.01 g/mol.
Where can I buy Pyrocatechol, 3-chloroacetyl-?
You can request a quote for Pyrocatechol, 3-chloroacetyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrocatechol, 3-chloroacetyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrocatechol, 3-chloroacetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.