3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide
TL;DR: 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide (CAS 167501-39-5) is a chemical compound with molecular formula C10H17N5S and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-cyano-N-methyl-3-(4-methylpiperazin-1-yl)prop-2-enethioamide
Also Known As: NCI60_029718, 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide, 3-amino-2-cyano-N-methyl-3-(4-methylpiperazin-1-yl)prop-2-enethioamide
| Molecular Formula | C10H17N5S |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | -0.52552 |
| Topological Polar Surface Area | 68.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.12047 |
| Heavy Atoms | 16 |
| Complexity | 335.60876 |
Chemical Identifiers
| CAS Number | 167501-39-5 |
|---|---|
| SMILES | CNC(=S)C(=C(N)N1CCN(CC1)C)C#N |
Product Overview
3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide (CAS 167501-39-5), with molecular formula C10H17N5S and molecular weight 239.12 g/mol. IUPAC: 3-amino-2-cyano-N-methyl-3-(4-methylpiperazin-1-yl)prop-2-enethioamide.
Chemical Property Profile of 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide
Property Insights of 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide
The XLogP value of -0.52552 indicates that 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide. Following Lipinski's Rule of Five, 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-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-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide?
The CAS number of 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide is 167501-39-5.
What is the molecular formula of 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide?
The molecular formula of 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide is C10H17N5S.
What is the molecular weight of 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide?
The molecular weight of 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide is 239.12 g/mol.
Where can I buy 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide?
You can request a quote for 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-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-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-cyano-N-methyl-3-(4-methyl-1-piperazinyl)-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.