(E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid
TL;DR: (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid (CAS 840463-64-1) is a chemical compound with molecular formula C27H25ClN2O6 and molecular weight 508.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]benzoic acid
Also Known As: (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid, 4-[[(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]benzoic acid, 4-{[(2E)-2-{[(4-chlorophenyl)carbonyl]amino}-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino}benzoic acid
| Molecular Formula | C27H25ClN2O6 |
|---|---|
| Molecular Weight | 508.14 g/mol |
| LogP | 5.2452 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 508.1401 |
| Heavy Atoms | 36 |
| Complexity | 1270.4263 |
Chemical Identifiers
| CAS Number | 840463-64-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=C(C=C3)Cl)OCC |
Product Overview
(E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid (CAS 840463-64-1), with molecular formula C27H25ClN2O6 and molecular weight 508.14 g/mol. IUPAC: 4-[[(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid
Property Insights of (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid
The XLogP value of 5.2452 indicates that (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid. Following Lipinski's Rule of Five, (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid has 3 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 (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid?
The CAS number of (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid is 840463-64-1.
What is the molecular formula of (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid?
The molecular formula of (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid is C27H25ClN2O6.
What is the molecular weight of (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid?
The molecular weight of (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid is 508.14 g/mol.
Where can I buy (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid?
You can request a quote for (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-(4-chlorobenzamido)-3-(3,4-diethoxyphenyl)acrylamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.