2-Propanone, 1-(acetyloxy)-3-chloro-
TL;DR: 2-Propanone, 1-(acetyloxy)-3-chloro- (CAS 40235-68-5) is a chemical compound with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-oxopropyl) acetate
Also Known As: 1-Acetoxy-3-chloroacetone, 3-chloro-2-oxopropyl acetate, Chlorohydroxyacetone acetate, Chloroacetol acetate, 1-Acetyloxy-3-chloroacetone
| Molecular Formula | C5H7ClO3 |
|---|---|
| Molecular Weight | 150.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.00838 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 40235-68-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)CCl |
| InChIKey | LCMPIWIWBGHBOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanone, 1-(acetyloxy)-3-chloro- (CAS 40235-68-5), with molecular formula C5H7ClO3 and molecular weight 150.01 g/mol. IUPAC: (3-chloro-2-oxopropyl) acetate.
Chemical Property Profile of 2-Propanone, 1-(acetyloxy)-3-chloro-
Property Insights of 2-Propanone, 1-(acetyloxy)-3-chloro-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1-(acetyloxy)-3-chloro-. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Propanone, 1-(acetyloxy)-3-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanone, 1-(acetyloxy)-3-chloro- 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 2-Propanone, 1-(acetyloxy)-3-chloro-?
The CAS number of 2-Propanone, 1-(acetyloxy)-3-chloro- is 40235-68-5.
What is the molecular formula of 2-Propanone, 1-(acetyloxy)-3-chloro-?
The molecular formula of 2-Propanone, 1-(acetyloxy)-3-chloro- is C5H7ClO3.
What is the molecular weight of 2-Propanone, 1-(acetyloxy)-3-chloro-?
The molecular weight of 2-Propanone, 1-(acetyloxy)-3-chloro- is 150.01 g/mol.
Where can I buy 2-Propanone, 1-(acetyloxy)-3-chloro-?
You can request a quote for 2-Propanone, 1-(acetyloxy)-3-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-(acetyloxy)-3-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-(acetyloxy)-3-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.