4-(1-Methylethyl)phenyl 4-bromobenzoate
TL;DR: 4-(1-Methylethyl)phenyl 4-bromobenzoate (CAS 304673-71-0) is a chemical compound with molecular formula C16H15BrO2 and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propan-2-ylphenyl) 4-bromobenzoate
Also Known As: 4-(1-methylethyl)phenyl 4-bromobenzoate, (4-propan-2-ylphenyl) 4-bromobenzoate, 4-(methylethyl)phenyl 4-bromobenzoate, BAS 00581493, 4-Bromobenzoic acid, 4-isopropylphenyl ester
| Molecular Formula | C16H15BrO2 |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.02554 |
| Heavy Atoms | 19 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 304673-71-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Br |
| InChIKey | SFRKNQWSZJMMFG-UHFFFAOYSA-N |
Product Overview
4-(1-Methylethyl)phenyl 4-bromobenzoate (CAS 304673-71-0), with molecular formula C16H15BrO2 and molecular weight 318.03 g/mol. IUPAC: (4-propan-2-ylphenyl) 4-bromobenzoate.
Chemical Property Profile of 4-(1-Methylethyl)phenyl 4-bromobenzoate
Property Insights of 4-(1-Methylethyl)phenyl 4-bromobenzoate
The XLogP value of 5.4 indicates that 4-(1-Methylethyl)phenyl 4-bromobenzoate 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-(1-Methylethyl)phenyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Methylethyl)phenyl 4-bromobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-Methylethyl)phenyl 4-bromobenzoate?
The CAS number of 4-(1-Methylethyl)phenyl 4-bromobenzoate is 304673-71-0.
What is the molecular formula of 4-(1-Methylethyl)phenyl 4-bromobenzoate?
The molecular formula of 4-(1-Methylethyl)phenyl 4-bromobenzoate is C16H15BrO2.
What is the molecular weight of 4-(1-Methylethyl)phenyl 4-bromobenzoate?
The molecular weight of 4-(1-Methylethyl)phenyl 4-bromobenzoate is 318.03 g/mol.
Where can I buy 4-(1-Methylethyl)phenyl 4-bromobenzoate?
You can request a quote for 4-(1-Methylethyl)phenyl 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-(1-Methylethyl)phenyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Methylethyl)phenyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.