(E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid
TL;DR: (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid (CAS 2651958-74-4) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]benzoic acid
Also Known As: AB00759351-01, (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid, 4-[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]benzoic acid, 4-[(E)-3-oxo-3-pyridin-3-yl-prop-1-enyl]benzoic Acid
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 2.6759 |
| Topological Polar Surface Area | 67.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 615.59875 |
Chemical Identifiers
| CAS Number | 2651958-74-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O |
Product Overview
(E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid (CAS 2651958-74-4), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: 4-[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]benzoic acid.
Chemical Property Profile of (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid
Property Insights of (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid
The XLogP value of 2.6759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid. The TPSA of 67.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid. Following Lipinski's Rule of Five, (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid 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 (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid?
The CAS number of (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid is 2651958-74-4.
What is the molecular formula of (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid?
The molecular formula of (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid is C15H11NO3.
What is the molecular weight of (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid?
The molecular weight of (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid is 253.07 g/mol.
Where can I buy (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid?
You can request a quote for (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-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 (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(3-Oxo-3-(pyridin-3-yl)prop-1-en-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.