2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile
TL;DR: 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile (CAS 496836-28-3) is a chemical compound with molecular formula C14H12ClN3S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile
Also Known As: 2-[[2-amino-1-(3-pyridinyl)ethyl]thio]-4-chloro-benzonitrile, 2-(2-amino-1-pyridin-3-yl-ethyl)sulfanyl-4-chloro-benzonitrile
| Molecular Formula | C14H12ClN3S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 3.39878 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.04404 |
| Heavy Atoms | 19 |
| Complexity | 595.38525 |
Chemical Identifiers
| CAS Number | 496836-28-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(CN)SC2=C(C=CC(=C2)Cl)C#N |
Product Overview
2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile (CAS 496836-28-3), with molecular formula C14H12ClN3S and molecular weight 289.04 g/mol. IUPAC: 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile.
Chemical Property Profile of 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile
Property Insights of 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile
The XLogP value of 3.39878 indicates that 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile. Following Lipinski's Rule of Five, 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile has 1 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 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile?
The CAS number of 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile is 496836-28-3.
What is the molecular formula of 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile?
The molecular formula of 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile is C14H12ClN3S.
What is the molecular weight of 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile?
The molecular weight of 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile is 289.04 g/mol.
Where can I buy 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile?
You can request a quote for 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.