4-Bromophenyl 4-tert-butylbenzoate
TL;DR: 4-Bromophenyl 4-tert-butylbenzoate (CAS 791829-96-4) is a chemical compound with molecular formula C17H17BrO2 and molecular weight 332.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 4-tert-butylbenzoate
Also Known As: 4-bromophenyl 4-tert-butylbenzoate, (4-bromophenyl) 4-tert-butylbenzoate, AO-548/11593005
| Molecular Formula | C17H17BrO2 |
|---|---|
| Molecular Weight | 332.04 g/mol |
| LogP | 4.9658 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.0412 |
| Heavy Atoms | 20 |
| Complexity | 592.38226 |
Chemical Identifiers
| CAS Number | 791829-96-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Br |
Product Overview
4-Bromophenyl 4-tert-butylbenzoate (CAS 791829-96-4), with molecular formula C17H17BrO2 and molecular weight 332.04 g/mol. IUPAC: (4-bromophenyl) 4-tert-butylbenzoate.
Chemical Property Profile of 4-Bromophenyl 4-tert-butylbenzoate
Property Insights of 4-Bromophenyl 4-tert-butylbenzoate
The XLogP value of 4.9658 indicates that 4-Bromophenyl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Bromophenyl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl 4-tert-butylbenzoate has 0 hydrogen bond donor(s) and 2 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-Bromophenyl 4-tert-butylbenzoate?
The CAS number of 4-Bromophenyl 4-tert-butylbenzoate is 791829-96-4.
What is the molecular formula of 4-Bromophenyl 4-tert-butylbenzoate?
The molecular formula of 4-Bromophenyl 4-tert-butylbenzoate is C17H17BrO2.
What is the molecular weight of 4-Bromophenyl 4-tert-butylbenzoate?
The molecular weight of 4-Bromophenyl 4-tert-butylbenzoate is 332.04 g/mol.
Where can I buy 4-Bromophenyl 4-tert-butylbenzoate?
You can request a quote for 4-Bromophenyl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.