2-Acetyl-4-methylphenyl 4-bromobenzoate
TL;DR: 2-Acetyl-4-methylphenyl 4-bromobenzoate (CAS 36695-12-2) is a chemical compound with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-4-methylphenyl) 4-bromobenzoate
Also Known As: 2-acetyl-4-methylphenyl 4-bromobenzoate, 2-acetyl-4-tolyl p-bromobenzoate, (2-acetyl-4-methylphenyl) 4-bromobenzoate, F0345-2705
| Molecular Formula | C16H13BrO3 |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 4.17932 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.00482 |
| Heavy Atoms | 20 |
| Complexity | 659.92224 |
Chemical Identifiers
| CAS Number | 36695-12-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Br)C(=O)C |
Product Overview
2-Acetyl-4-methylphenyl 4-bromobenzoate (CAS 36695-12-2), with molecular formula C16H13BrO3 and molecular weight 332.00 g/mol. IUPAC: (2-acetyl-4-methylphenyl) 4-bromobenzoate.
Chemical Property Profile of 2-Acetyl-4-methylphenyl 4-bromobenzoate
Property Insights of 2-Acetyl-4-methylphenyl 4-bromobenzoate
The XLogP value of 4.17932 indicates that 2-Acetyl-4-methylphenyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Acetyl-4-methylphenyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-4-methylphenyl 4-bromobenzoate 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-bromobenzoate?
The CAS number of 2-Acetyl-4-methylphenyl 4-bromobenzoate is 36695-12-2.
What is the molecular formula of 2-Acetyl-4-methylphenyl 4-bromobenzoate?
The molecular formula of 2-Acetyl-4-methylphenyl 4-bromobenzoate is C16H13BrO3.
What is the molecular weight of 2-Acetyl-4-methylphenyl 4-bromobenzoate?
The molecular weight of 2-Acetyl-4-methylphenyl 4-bromobenzoate is 332.00 g/mol.
Where can I buy 2-Acetyl-4-methylphenyl 4-bromobenzoate?
You can request a quote for 2-Acetyl-4-methylphenyl 4-bromobenzoate 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-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-methylphenyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.