(3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate
TL;DR: (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate (CAS 7465-18-1) is a chemical compound with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-methyl-3-oxo-2-phenylpropyl) acetate
Also Known As: (3-chloro-2-methyl-3-oxo-2-phenylpropyl) acetate, 3-Chloro-2-methyl-3-oxo-2-phenylpropyl acetate, I+/--[(Acetyloxy)methyl]-I+/--methylbenzeneacetyl chloride
| Molecular Formula | C12H13ClO3 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.05533 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 7465-18-1 |
|---|---|
| SMILES | CC(=O)OCC(C)(C1=CC=CC=C1)C(=O)Cl |
| InChIKey | SZFABOSRLQNUBG-UHFFFAOYSA-N |
Product Overview
(3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate (CAS 7465-18-1), with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol. IUPAC: (3-chloro-2-methyl-3-oxo-2-phenylpropyl) acetate.
Chemical Property Profile of (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate
Property Insights of (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate. With a topological polar surface area (TPSA) of 43.4 Ų, (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) 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 (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate?
The CAS number of (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate is 7465-18-1.
What is the molecular formula of (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate?
The molecular formula of (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate is C12H13ClO3.
What is the molecular weight of (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate?
The molecular weight of (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate is 240.06 g/mol.
Where can I buy (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate?
You can request a quote for (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-2-methyl-3-oxo-2-phenylpropyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.