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Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-
TL;DR: Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]- (CAS 106315-48-4) is a chemical compound with molecular formula C17H11NO3 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-cyanophenyl)-3-oxoprop-1-enyl]benzoic acid
Also Known As: Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-, 4-[3-(4-cyanophenyl)-3-oxoprop-1-enyl]benzoic acid, Propanoic acid,2,2-dimethyl-3-phenoxy-,ethyl ester, 4-[3-(4-cyanophenyl)-3-oxo-prop-1-enyl]benzoic Acid, 4-[3-(4-CYANOPHENYL)-3-OXOPROP-1-EN-1-YL]BENZOIC ACID
| Molecular Formula | C17H11NO3 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 3.15258 |
| Topological Polar Surface Area | 78.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.07388 |
| Heavy Atoms | 21 |
| Complexity | 735.09985 |
Chemical Identifiers
| CAS Number | 106315-48-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)C#N)C(=O)O |
Product Overview
Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]- (CAS 106315-48-4), with molecular formula C17H11NO3 and molecular weight 277.07 g/mol. IUPAC: 4-[3-(4-cyanophenyl)-3-oxoprop-1-enyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-
Property Insights of Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-
The XLogP value of 3.15258 indicates that Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-. Following Lipinski's Rule of Five, Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]- has 1 hydrogen bond donor(s) and 3 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 Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-?
The CAS number of Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]- is 106315-48-4.
What is the molecular formula of Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-?
The molecular formula of Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]- is C17H11NO3.
What is the molecular weight of Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-?
The molecular weight of Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]- is 277.07 g/mol.
Where can I buy Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-?
You can request a quote for Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[3-(4-cyanophenyl)-3-oxo-1-propenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.