![(Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile structure](/static/products/866/866009-20-3.png)
(Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile
TL;DR: (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile (CAS 866009-20-3) is a chemical compound with molecular formula C17H14ClN3OS and molecular weight 343.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorobenzoyl)-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile
Also Known As: (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile, 2-(4-chlorobenzoyl)-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile
| Molecular Formula | C17H14ClN3OS |
|---|---|
| Molecular Weight | 343.05 g/mol |
| LogP | 3.80568 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.0546 |
| Heavy Atoms | 23 |
| Complexity | 751.65796 |
Chemical Identifiers
| CAS Number | 866009-20-3 |
|---|---|
| SMILES | CSC(=C(C#N)C(=O)C1=CC=C(C=C1)Cl)NCC2=CN=CC=C2 |
Product Overview
(Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile (CAS 866009-20-3), with molecular formula C17H14ClN3OS and molecular weight 343.05 g/mol. IUPAC: 2-(4-chlorobenzoyl)-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enenitrile.
Chemical Property Profile of (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile
Property Insights of (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile
The XLogP value of 3.80568 indicates that (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile. Following Lipinski's Rule of Five, (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile has 1 hydrogen bond donor(s) and 5 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 (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile?
The CAS number of (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile is 866009-20-3.
What is the molecular formula of (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile?
The molecular formula of (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile is C17H14ClN3OS.
What is the molecular weight of (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile?
The molecular weight of (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile is 343.05 g/mol.
Where can I buy (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile?
You can request a quote for (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-chlorobenzoyl)-3-(methylsulfanyl)-3-[(3-pyridinylmethyl)amino]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.