![3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid structure](/static/products/5226/522657-06-3.webp)
3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
TL;DR: 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid (CAS 522657-06-3) is a chemical compound with molecular formula C24H17BrN2O4 and molecular weight 476.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(Z)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
Also Known As: 3-(3-{4-[(4-bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
| Molecular Formula | C24H17BrN2O4 |
|---|---|
| Molecular Weight | 476.04 g/mol |
| LogP | 5.27198 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.03717 |
| Heavy Atoms | 31 |
| Complexity | 1163.4337 |
Chemical Identifiers
| CAS Number | 522657-06-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)/C#N)C(=O)O |
Product Overview
3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid (CAS 522657-06-3), with molecular formula C24H17BrN2O4 and molecular weight 476.04 g/mol. IUPAC: 3-[[(Z)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
Property Insights of 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
The XLogP value of 5.27198 indicates that 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid. Following Lipinski's Rule of Five, 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid?
The CAS number of 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid is 522657-06-3.
What is the molecular formula of 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid?
The molecular formula of 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid is C24H17BrN2O4.
What is the molecular weight of 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid?
The molecular weight of 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid is 476.04 g/mol.
Where can I buy 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid?
You can request a quote for 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-{4-[(4-Bromophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.