![4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid structure](/static/products/3352/335206-00-3.webp)
4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
TL;DR: 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid (CAS 335206-00-3) 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-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]amino]benzoic acid
Also Known As: AB00120049-01, 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid, 4-[[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]amino]benzoic acid, 4-{[3-(3,4-dimethoxyphenyl)-3-oxo-1-propenyl]amino}benzoic acid
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 3.2105 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 765.47864 |
Chemical Identifiers
| CAS Number | 335206-00-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)/C=C/NC2=CC=C(C=C2)C(=O)O)OC |
Product Overview
4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid (CAS 335206-00-3), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: 4-[[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]amino]benzoic acid.
Chemical Property Profile of 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
Property Insights of 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
The XLogP value of 3.2105 indicates that 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid has 2 hydrogen bond donor(s) and 5 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-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid?
The CAS number of 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid is 335206-00-3.
What is the molecular formula of 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid?
The molecular formula of 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid is C18H17NO5.
What is the molecular weight of 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid?
The molecular weight of 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid is 327.11 g/mol.
Where can I buy 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid?
You can request a quote for 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}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-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.