Acetophenone, 2-chlorodihydroxy-
TL;DR: Acetophenone, 2-chlorodihydroxy- (CAS 97805-05-5) 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-2,2-dihydroxy-1-phenylethanone
Also Known As: Chloroacetocatechol, 2-Chlorodihydroxyacetophenone, dihydroxyphenacyl chloride, Isoproterenol Impurity 8, ACETOPHENONE, 2-CHLORODIHYDROXY-
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 0.9 |
| 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 | 173.0 |
Chemical Identifiers
| CAS Number | 97805-05-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(O)(O)Cl |
| InChIKey | ZFHUIQIYHBOPKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetophenone, 2-chlorodihydroxy- (CAS 97805-05-5), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 2-chloro-2,2-dihydroxy-1-phenylethanone.
Chemical Property Profile of Acetophenone, 2-chlorodihydroxy-
Property Insights of Acetophenone, 2-chlorodihydroxy-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone, 2-chlorodihydroxy-. With a topological polar surface area (TPSA) of 57.5 Ų, Acetophenone, 2-chlorodihydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone, 2-chlorodihydroxy- 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 Acetophenone, 2-chlorodihydroxy-?
The CAS number of Acetophenone, 2-chlorodihydroxy- is 97805-05-5.
What is the molecular formula of Acetophenone, 2-chlorodihydroxy-?
The molecular formula of Acetophenone, 2-chlorodihydroxy- is C8H7ClO3.
What is the molecular weight of Acetophenone, 2-chlorodihydroxy-?
The molecular weight of Acetophenone, 2-chlorodihydroxy- is 186.01 g/mol.
Where can I buy Acetophenone, 2-chlorodihydroxy-?
You can request a quote for Acetophenone, 2-chlorodihydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 2-chlorodihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 2-chlorodihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.