(Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid
TL;DR: (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid (CAS 7017-58-5) is a chemical compound with molecular formula C20H19NO5 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(Z)-3,4-dioxo-1-phenyl-4-propan-2-yloxybut-1-enyl]amino]benzoic acid
Also Known As: (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid, 3-[[(Z)-3,4-dioxo-1-phenyl-4-propan-2-yloxybut-1-enyl]amino]benzoic acid, 3-[(3-oxo-1-phenyl-3-propan-2-yloxycarbonyl-prop-1-enyl)amino]benzoic Acid, 3-{[(1Z)-3,4-dioxo-1-phenyl-4-(propan-2-yloxy)but-1-en-1-yl]amino}benzoic acid
| Molecular Formula | C20H19NO5 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.3585 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.1263 |
| Heavy Atoms | 26 |
| Complexity | 840.28986 |
Chemical Identifiers
| CAS Number | 7017-58-5 |
|---|---|
| SMILES | CC(C)OC(=O)C(=O)/C=C(/C1=CC=CC=C1)\NC2=CC=CC(=C2)C(=O)O |
Product Overview
(Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid (CAS 7017-58-5), with molecular formula C20H19NO5 and molecular weight 353.13 g/mol. IUPAC: 3-[[(Z)-3,4-dioxo-1-phenyl-4-propan-2-yloxybut-1-enyl]amino]benzoic acid.
Chemical Property Profile of (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid
Property Insights of (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid
The XLogP value of 3.3585 indicates that (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid. Following Lipinski's Rule of Five, (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-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 (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid?
The CAS number of (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid is 7017-58-5.
What is the molecular formula of (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid?
The molecular formula of (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid is C20H19NO5.
What is the molecular weight of (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid?
The molecular weight of (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid is 353.13 g/mol.
Where can I buy (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid?
You can request a quote for (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-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 (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-((4-isopropoxy-3,4-dioxo-1-phenylbut-1-en-1-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.