4-Acetylphenyl 4-bromobenzoate
TL;DR: 4-Acetylphenyl 4-bromobenzoate (CAS 305857-90-3) is a chemical compound with molecular formula C15H11BrO3 and molecular weight 317.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylphenyl) 4-bromobenzoate
Also Known As: 4-Acetylphenyl 4-bromobenzoate, (4-acetylphenyl) 4-bromobenzoate, 4-Acetylphenyl4-bromobenzoate, 4-Acetylphenyl 4-bromobenzoate #, Benzoic acid, 4-bromo-, 4-acetylphenyl ester
| Molecular Formula | C15H11BrO3 |
|---|---|
| Molecular Weight | 317.99 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 | 317.98917 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 305857-90-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Br |
| InChIKey | IITJYZLHFNVSEN-UHFFFAOYSA-N |
Product Overview
4-Acetylphenyl 4-bromobenzoate (CAS 305857-90-3), with molecular formula C15H11BrO3 and molecular weight 317.99 g/mol. IUPAC: (4-acetylphenyl) 4-bromobenzoate.
Chemical Property Profile of 4-Acetylphenyl 4-bromobenzoate
Property Insights of 4-Acetylphenyl 4-bromobenzoate
The XLogP value of 4.0 indicates that 4-Acetylphenyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Acetylphenyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetylphenyl 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 4-Acetylphenyl 4-bromobenzoate?
The CAS number of 4-Acetylphenyl 4-bromobenzoate is 305857-90-3.
What is the molecular formula of 4-Acetylphenyl 4-bromobenzoate?
The molecular formula of 4-Acetylphenyl 4-bromobenzoate is C15H11BrO3.
What is the molecular weight of 4-Acetylphenyl 4-bromobenzoate?
The molecular weight of 4-Acetylphenyl 4-bromobenzoate is 317.99 g/mol.
Where can I buy 4-Acetylphenyl 4-bromobenzoate?
You can request a quote for 4-Acetylphenyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylphenyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylphenyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.