4-Cyanobenzoic acid 4-bromophenyl ester
TL;DR: 4-Cyanobenzoic acid 4-bromophenyl ester (CAS 53327-10-9) is a chemical compound with molecular formula C14H8BrNO2 and molecular weight 300.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 4-cyanobenzoate
Also Known As: 4-bromophenyl 4-cyanobenzoate, (4-bromophenyl) 4-cyanobenzoate, 4-Cyanobenzoicacid4-bromophenylester, 4-Cyanobenzoic acid 4-bromophenyl ester, UPCMLD0ENAT5397450:001
| Molecular Formula | C14H8BrNO2 |
|---|---|
| Molecular Weight | 300.97 g/mol |
| LogP | 3.53998 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.97385 |
| Heavy Atoms | 18 |
| Complexity | 597.1863 |
Chemical Identifiers
| CAS Number | 53327-10-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)OC2=CC=C(C=C2)Br |
Product Overview
4-Cyanobenzoic acid 4-bromophenyl ester (CAS 53327-10-9), with molecular formula C14H8BrNO2 and molecular weight 300.97 g/mol. IUPAC: (4-bromophenyl) 4-cyanobenzoate.
Chemical Property Profile of 4-Cyanobenzoic acid 4-bromophenyl ester
Property Insights of 4-Cyanobenzoic acid 4-bromophenyl ester
The XLogP value of 3.53998 indicates that 4-Cyanobenzoic acid 4-bromophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 4-Cyanobenzoic acid 4-bromophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanobenzoic acid 4-bromophenyl ester 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-Cyanobenzoic acid 4-bromophenyl ester?
The CAS number of 4-Cyanobenzoic acid 4-bromophenyl ester is 53327-10-9.
What is the molecular formula of 4-Cyanobenzoic acid 4-bromophenyl ester?
The molecular formula of 4-Cyanobenzoic acid 4-bromophenyl ester is C14H8BrNO2.
What is the molecular weight of 4-Cyanobenzoic acid 4-bromophenyl ester?
The molecular weight of 4-Cyanobenzoic acid 4-bromophenyl ester is 300.97 g/mol.
Where can I buy 4-Cyanobenzoic acid 4-bromophenyl ester?
You can request a quote for 4-Cyanobenzoic acid 4-bromophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanobenzoic acid 4-bromophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobenzoic acid 4-bromophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.