![Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester structure](/static/products/6631/663181-29-1.webp)
Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester
TL;DR: Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester (CAS 663181-29-1) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-oxo-3-pyridin-3-ylprop-1-enyl)benzoate
Also Known As: methyl 4-(3-oxo-3-pyridin-3-ylprop-1-enyl)benzoate, Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester, methyl 4-[3-oxo-3-(pyridin-3-yl)prop-1-en-1-yl]benzoate, Benzoic acid,4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-,methyl ester
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.7643 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 630.5314 |
Chemical Identifiers
| CAS Number | 663181-29-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C=CC(=O)C2=CN=CC=C2 |
Product Overview
Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester (CAS 663181-29-1), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: methyl 4-(3-oxo-3-pyridin-3-ylprop-1-enyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester
Property Insights of Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester
The XLogP value of 2.7643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester. With a topological polar surface area (TPSA) of 56.26 Ų, Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester has 0 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 Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester?
The CAS number of Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester is 663181-29-1.
What is the molecular formula of Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester?
The molecular formula of Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester is C16H13NO3.
What is the molecular weight of Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester?
The molecular weight of Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester is 267.09 g/mol.
Where can I buy Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester?
You can request a quote for Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester 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-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-[3-oxo-3-(3-pyridinyl)-1-propenyl]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.