![4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid structure](/static/products/112/112916-54-8.png)
4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid
TL;DR: 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid (CAS 112916-54-8) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid
Also Known As: (E)-4-((3-(4-hydroxy-3-methoxyphenyl)acrylamido)methyl)benzoic acid, 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid, 4-[[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]methyl]benzoic Acid, 4-[[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.4286 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 765.47864 |
Chemical Identifiers
| CAS Number | 112916-54-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)O)O |
Product Overview
4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid (CAS 112916-54-8), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: 4-[[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid.
Chemical Property Profile of 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid
Property Insights of 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid
The XLogP value of 2.4286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid. Following Lipinski's Rule of Five, 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic 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 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid?
The CAS number of 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid is 112916-54-8.
What is the molecular formula of 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid?
The molecular formula of 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid is C18H17NO5.
What is the molecular weight of 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid?
The molecular weight of 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid is 327.11 g/mol.
Where can I buy 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid?
You can request a quote for 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.