2-Acetyl-4-chlorophenyl 4-methylbenzoate
TL;DR: 2-Acetyl-4-chlorophenyl 4-methylbenzoate (CAS 88952-03-8) is a chemical compound with molecular formula C16H13ClO3 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-4-chlorophenyl) 4-methylbenzoate
Also Known As: 2-acetyl-4-chlorophenyl 4-methylbenzoate, (2-acetyl-4-chlorophenyl) 4-methylbenzoate, 2-acetyl-4-chlorophenyl4-methylbenzoate, Benzoic acid, 4-methyl-, 2-acetyl-4-chlorophenyl ester, (2-acetyl-4-chloro-phenyl) 4-methylbenzoate
| Molecular Formula | C16H13ClO3 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.05533 |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 88952-03-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Cl)C(=O)C |
| InChIKey | OXLMYSSKWQRXCP-UHFFFAOYSA-N |
Product Overview
2-Acetyl-4-chlorophenyl 4-methylbenzoate (CAS 88952-03-8), with molecular formula C16H13ClO3 and molecular weight 288.06 g/mol. IUPAC: (2-acetyl-4-chlorophenyl) 4-methylbenzoate.
Chemical Property Profile of 2-Acetyl-4-chlorophenyl 4-methylbenzoate
Property Insights of 2-Acetyl-4-chlorophenyl 4-methylbenzoate
The XLogP value of 4.0 indicates that 2-Acetyl-4-chlorophenyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Acetyl-4-chlorophenyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-4-chlorophenyl 4-methylbenzoate 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-Acetyl-4-chlorophenyl 4-methylbenzoate?
The CAS number of 2-Acetyl-4-chlorophenyl 4-methylbenzoate is 88952-03-8.
What is the molecular formula of 2-Acetyl-4-chlorophenyl 4-methylbenzoate?
The molecular formula of 2-Acetyl-4-chlorophenyl 4-methylbenzoate is C16H13ClO3.
What is the molecular weight of 2-Acetyl-4-chlorophenyl 4-methylbenzoate?
The molecular weight of 2-Acetyl-4-chlorophenyl 4-methylbenzoate is 288.06 g/mol.
Where can I buy 2-Acetyl-4-chlorophenyl 4-methylbenzoate?
You can request a quote for 2-Acetyl-4-chlorophenyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-4-chlorophenyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-chlorophenyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.