![3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid structure](/static/products/5226/522656-86-6.webp)
3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid
TL;DR: 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid (CAS 522656-86-6) is a chemical compound with molecular formula C25H19BrN2O5 and molecular weight 506.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
Also Known As: 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid, 3-[[(E)-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid, 3-[[3-[2-[(4-bromophenyl)methoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic Acid
| Molecular Formula | C25H19BrN2O5 |
|---|---|
| Molecular Weight | 506.05 g/mol |
| LogP | 5.28058 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.04773 |
| Heavy Atoms | 33 |
| Complexity | 1246.3972 |
Chemical Identifiers
| CAS Number | 522656-86-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1OCC2=CC=C(C=C2)Br)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid (CAS 522656-86-6), with molecular formula C25H19BrN2O5 and molecular weight 506.05 g/mol. IUPAC: 3-[[(E)-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid
Property Insights of 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid
The XLogP value of 5.28058 indicates that 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid. Following Lipinski's Rule of Five, 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid has 2 hydrogen bond donor(s) and 5 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-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid?
The CAS number of 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid is 522656-86-6.
What is the molecular formula of 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid?
The molecular formula of 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid is C25H19BrN2O5.
What is the molecular weight of 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid?
The molecular weight of 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid is 506.05 g/mol.
Where can I buy 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid?
You can request a quote for 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-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-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-{2-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.