![{[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid structure](/static/products/3139/313956-66-0.webp)
{[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid
TL;DR: {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid (CAS 313956-66-0) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]acetic acid
Also Known As: NCI60_038241, AB00094642-01, AS-871/11705517, 2-((3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyri, F1187-0012
| Molecular Formula | C18H16N2O3S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.08817 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 313956-66-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3CC3 |
| InChIKey | FQLUIDLLIOYMAV-UHFFFAOYSA-N |
Product Overview
{[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid (CAS 313956-66-0), with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol. IUPAC: 2-[[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid
Property Insights of {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid
The XLogP value of 3.2 indicates that {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid has 1 hydrogen bond donor(s) and 6 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-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid?
The CAS number of {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid is 313956-66-0.
What is the molecular formula of {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid?
The molecular formula of {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid is C18H16N2O3S.
What is the molecular weight of {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid?
The molecular weight of {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid is 340.09 g/mol.
Where can I buy {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid?
You can request a quote for {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[3-Cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.