1-(Chloroformyl)benzyl acetate
TL;DR: 1-(Chloroformyl)benzyl acetate (CAS 1638-63-7) is a chemical compound with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-2-oxo-1-phenylethyl) acetate
Also Known As: 2-chloro-2-oxo-1-phenylethyl acetate, o-acetylmandeloyl chloride, 2-Acetoxy-2-phenylacetyl chloride, Acetylmandelic chloride, 1-(Chloroformyl)benzyl acetate
| Molecular Formula | C10H9ClO3 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.02402 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 1638-63-7 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)C(=O)Cl |
| InChIKey | BERNQQVIUAZUHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chloroformyl)benzyl acetate (CAS 1638-63-7), with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol. IUPAC: (2-chloro-2-oxo-1-phenylethyl) acetate.
Chemical Property Profile of 1-(Chloroformyl)benzyl acetate
Property Insights of 1-(Chloroformyl)benzyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Chloroformyl)benzyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 1-(Chloroformyl)benzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloroformyl)benzyl acetate has 0 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-(Chloroformyl)benzyl acetate?
The CAS number of 1-(Chloroformyl)benzyl acetate is 1638-63-7.
What is the molecular formula of 1-(Chloroformyl)benzyl acetate?
The molecular formula of 1-(Chloroformyl)benzyl acetate is C10H9ClO3.
What is the molecular weight of 1-(Chloroformyl)benzyl acetate?
The molecular weight of 1-(Chloroformyl)benzyl acetate is 212.02 g/mol.
Where can I buy 1-(Chloroformyl)benzyl acetate?
You can request a quote for 1-(Chloroformyl)benzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloroformyl)benzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloroformyl)benzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.