3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide
TL;DR: 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide (CAS 336799-92-9) is a chemical compound with molecular formula C20H21N5S and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazin-1-yl)prop-2-enethioamide
Also Known As: 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide, (2E)-3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazin-1-yl)prop-2-enethioamide, 5K-925, (E)-3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazin-1-yl)prop-2-enethioamide
| Molecular Formula | C20H21N5S |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 2.94198 |
| Topological Polar Surface Area | 68.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.15176 |
| Heavy Atoms | 26 |
| Complexity | 818.285 |
Chemical Identifiers
| CAS Number | 336799-92-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)/C(=C(\C#N)/C(=S)NC3=CC=CC=C3)/N |
Product Overview
3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide (CAS 336799-92-9), with molecular formula C20H21N5S and molecular weight 363.15 g/mol. IUPAC: (E)-3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazin-1-yl)prop-2-enethioamide.
Chemical Property Profile of 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide
Property Insights of 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide
The XLogP value of 2.94198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide. The TPSA of 68.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide. Following Lipinski's Rule of Five, 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide has 2 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 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide?
The CAS number of 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide is 336799-92-9.
What is the molecular formula of 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide?
The molecular formula of 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide is C20H21N5S.
What is the molecular weight of 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide?
The molecular weight of 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide is 363.15 g/mol.
Where can I buy 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide?
You can request a quote for 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-2-cyano-N-phenyl-3-(4-phenylpiperazino)-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.