![2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid structure](/static/products/852/852389-13-0.png)
2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid
TL;DR: 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid (CAS 852389-13-0) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-amino-3-cyano-5-(phenylcarbamoyl)-2-pyridinyl]sulfanyl]acetic acid
Also Known As: 2-{[6-amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid, {[6-amino-5-(anilinocarbonyl)-3-cyanopyridin-2-yl]thio}acetic acid, 2-[6-amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetic Acid, {[6-amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid, ([6-amino-5-(anilinocarbonyl)-3-cyanopyridin-2-yl]thio)acetic acid
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 1.96448 |
| Topological Polar Surface Area | 129.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 787.29926 |
Chemical Identifiers
| CAS Number | 852389-13-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=C(N=C(C(=C2)C#N)SCC(=O)O)N |
Product Overview
2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid (CAS 852389-13-0), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: 2-[[6-amino-3-cyano-5-(phenylcarbamoyl)-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid
Property Insights of 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid
The XLogP value of 1.96448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid. The TPSA of 129.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid has 3 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 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid?
The CAS number of 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid is 852389-13-0.
What is the molecular formula of 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid is C15H12N4O3S.
What is the molecular weight of 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid is 328.06 g/mol.
Where can I buy 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)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 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-Amino-3-cyano-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.