2-Acetyl-4-methylphenyl 4-chlorobenzoate
TL;DR: 2-Acetyl-4-methylphenyl 4-chlorobenzoate (CAS 4010-22-4) 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-methylphenyl) 4-chlorobenzoate
Also Known As: 2-Acetyl-4-methylphenyl 4-chlorobenzoate, (2-acetyl-4-methylphenyl) 4-chlorobenzoate, (2-acetyl-4-methylphenyl)-4-chlorobenzoate, 2-Acetyl-4-methylphenyl 4-chlorobenzoate #, VU0606039-1
| 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 | 4010-22-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)C(=O)C |
| InChIKey | DEQKOXOQMBJDRS-UHFFFAOYSA-N |
Product Overview
2-Acetyl-4-methylphenyl 4-chlorobenzoate (CAS 4010-22-4), with molecular formula C16H13ClO3 and molecular weight 288.06 g/mol. IUPAC: (2-acetyl-4-methylphenyl) 4-chlorobenzoate.
Chemical Property Profile of 2-Acetyl-4-methylphenyl 4-chlorobenzoate
Property Insights of 2-Acetyl-4-methylphenyl 4-chlorobenzoate
The XLogP value of 4.0 indicates that 2-Acetyl-4-methylphenyl 4-chlorobenzoate 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-methylphenyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-4-methylphenyl 4-chlorobenzoate 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-methylphenyl 4-chlorobenzoate?
The CAS number of 2-Acetyl-4-methylphenyl 4-chlorobenzoate is 4010-22-4.
What is the molecular formula of 2-Acetyl-4-methylphenyl 4-chlorobenzoate?
The molecular formula of 2-Acetyl-4-methylphenyl 4-chlorobenzoate is C16H13ClO3.
What is the molecular weight of 2-Acetyl-4-methylphenyl 4-chlorobenzoate?
The molecular weight of 2-Acetyl-4-methylphenyl 4-chlorobenzoate is 288.06 g/mol.
Where can I buy 2-Acetyl-4-methylphenyl 4-chlorobenzoate?
You can request a quote for 2-Acetyl-4-methylphenyl 4-chlorobenzoate 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-methylphenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-methylphenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.