3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid
TL;DR: 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid (CAS 80947-29-1) is a chemical compound with molecular formula C14H11NO2S and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid
Also Known As: AE-411/41415613, 3-(1-phenyl-2-thioxo-1,2-dihydropyridin-3-yl)acrylic acid, 3-(1-phenyl-2-sulfanylidenepyridin-3-yl)prop-2-enoic acid
| Molecular Formula | C14H11NO2S |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 3.30459 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.05106 |
| Heavy Atoms | 18 |
| Complexity | 644.3436 |
Chemical Identifiers
| CAS Number | 80947-29-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CC=C(C2=S)C=CC(=O)O |
Product Overview
3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid (CAS 80947-29-1), with molecular formula C14H11NO2S and molecular weight 257.05 g/mol. IUPAC: 3-(1-phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid.
Chemical Property Profile of 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid
Property Insights of 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid
The XLogP value of 3.30459 indicates that 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 2 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 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid?
The CAS number of 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid is 80947-29-1.
What is the molecular formula of 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid?
The molecular formula of 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid is C14H11NO2S.
What is the molecular weight of 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid?
The molecular weight of 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid is 257.05 g/mol.
Where can I buy 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid?
You can request a quote for 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.