4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid
TL;DR: 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid (CAS 94094-54-9) is a chemical compound with molecular formula C18H15NO5 and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(5-acetamido-2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
Also Known As: EINECS 302-156-8, 4-[3-(5-ACETAMIDO-2-HYDROXYPHENYL)-3-OXO-PROPEN-1-YL]BENZOIC ACID, 4-(3-(5-Acetamido-2-hydroxyphenyl)-3-oxo-propen-1-yl)benzoic acid, 4-[3-[5-(Acetylamino)-2-hydroxyphenyl]-3-oxo-1-propen-1-yl]benzoic acid, 4-[3-(5-acetamido-2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
| Molecular Formula | C18H15NO5 |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.9449 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.09503 |
| Heavy Atoms | 24 |
| Complexity | 821.8028 |
Chemical Identifiers
| CAS Number | 94094-54-9 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)O)C(=O)C=CC2=CC=C(C=C2)C(=O)O |
Product Overview
4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid (CAS 94094-54-9), with molecular formula C18H15NO5 and molecular weight 325.10 g/mol. IUPAC: 4-[3-(5-acetamido-2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid.
Chemical Property Profile of 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid
Property Insights of 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid
The XLogP value of 2.9449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)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-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid?
The CAS number of 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid is 94094-54-9.
What is the molecular formula of 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid?
The molecular formula of 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid is C18H15NO5.
What is the molecular weight of 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid?
The molecular weight of 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid is 325.10 g/mol.
Where can I buy 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid?
You can request a quote for 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)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-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(5-(Acetylamino)-2-hydroxyphenyl)-3-oxo-1-propen-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.