(E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid
TL;DR: (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid (CAS 331259-48-4) is a chemical compound with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid
Also Known As: BAS 00363442, (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid, 4-[2-Benzoylamino-3-(4-isopropoxy-phenyl)-acryloylamino]-butyric acid, 4-[[(E)-2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid, 4-({(2E)-2-[(phenylcarbonyl)amino]-3-[4-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)butanoic acid
| Molecular Formula | C23H26N2O5 |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 3.2257 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 410.18417 |
| Heavy Atoms | 30 |
| Complexity | 889.5693 |
Chemical Identifiers
| CAS Number | 331259-48-4 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)/C=C(\C(=O)NCCCC(=O)O)/NC(=O)C2=CC=CC=C2 |
Product Overview
(E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid (CAS 331259-48-4), with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol. IUPAC: 4-[[(E)-2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid.
Chemical Property Profile of (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid
Property Insights of (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid
The XLogP value of 3.2257 indicates that (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid. Following Lipinski's Rule of Five, (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid has 3 hydrogen bond donor(s) and 4 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 (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid?
The CAS number of (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid is 331259-48-4.
What is the molecular formula of (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid?
The molecular formula of (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid is C23H26N2O5.
What is the molecular weight of (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid?
The molecular weight of (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid is 410.18 g/mol.
Where can I buy (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid?
You can request a quote for (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic 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-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-benzamido-3-(4-isopropoxyphenyl)acrylamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.