4-Isopropylphenyl 2-bromobenzoate
TL;DR: 4-Isopropylphenyl 2-bromobenzoate (CAS 304673-70-9) 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) 2-bromobenzoate
Also Known As: 4-isopropylphenyl 2-bromobenzoate, (4-propan-2-ylphenyl) 2-bromobenzoate, BAS 00581494, 4-(methylethyl)phenyl 2-bromobenzoate, 2-Bromo-benzoic acid 4-isopropyl-phenyl ester
| Molecular Formula | C16H15BrO2 |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 4.9 |
| 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 | 295.0 |
Chemical Identifiers
| CAS Number | 304673-70-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br |
| InChIKey | RNIGYORMDWNYGH-UHFFFAOYSA-N |
Product Overview
4-Isopropylphenyl 2-bromobenzoate (CAS 304673-70-9), with molecular formula C16H15BrO2 and molecular weight 318.03 g/mol. IUPAC: (4-propan-2-ylphenyl) 2-bromobenzoate.
Chemical Property Profile of 4-Isopropylphenyl 2-bromobenzoate
Property Insights of 4-Isopropylphenyl 2-bromobenzoate
The XLogP value of 4.9 indicates that 4-Isopropylphenyl 2-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-Isopropylphenyl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylphenyl 2-bromobenzoate 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-Isopropylphenyl 2-bromobenzoate?
The CAS number of 4-Isopropylphenyl 2-bromobenzoate is 304673-70-9.
What is the molecular formula of 4-Isopropylphenyl 2-bromobenzoate?
The molecular formula of 4-Isopropylphenyl 2-bromobenzoate is C16H15BrO2.
What is the molecular weight of 4-Isopropylphenyl 2-bromobenzoate?
The molecular weight of 4-Isopropylphenyl 2-bromobenzoate is 318.03 g/mol.
Where can I buy 4-Isopropylphenyl 2-bromobenzoate?
You can request a quote for 4-Isopropylphenyl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylphenyl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylphenyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.