![3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide structure](/static/products/3389/338959-73-2.webp)
3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide
TL;DR: 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide (CAS 338959-73-2) is a chemical compound with molecular formula C22H22ClN7O2S and molecular weight 483.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide
Also Known As: 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide, 3-amino-3-[4-(6-chloro-2-pyridinyl)piperazino]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)-2-propenethioamide
| Molecular Formula | C22H22ClN7O2S |
|---|---|
| Molecular Weight | 483.12 g/mol |
| LogP | 2.87926 |
| Topological Polar Surface Area | 123.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.12442 |
| Heavy Atoms | 33 |
| Complexity | 1164.3099 |
Chemical Identifiers
| CAS Number | 338959-73-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)NC(=S)C(=C(N)N2CCN(CC2)C3=NC(=CC=C3)Cl)C#N)OC |
Product Overview
3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide (CAS 338959-73-2), with molecular formula C22H22ClN7O2S and molecular weight 483.12 g/mol. IUPAC: 3-amino-3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide.
Chemical Property Profile of 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide
Property Insights of 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide
The XLogP value of 2.87926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide. The TPSA of 123.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide. Following Lipinski's Rule of Five, 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide has 2 hydrogen bond donor(s) and 9 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-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide?
The CAS number of 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide is 338959-73-2.
What is the molecular formula of 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide?
The molecular formula of 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide is C22H22ClN7O2S.
What is the molecular weight of 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide?
The molecular weight of 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide is 483.12 g/mol.
Where can I buy 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide?
You can request a quote for 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-3-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-2-cyano-N-(2-cyano-4,5-dimethoxyphenyl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.