(2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide
TL;DR: (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide (CAS 167501-37-3) is a chemical compound with molecular formula C9H14N4OS and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-amino-2-cyano-N-methyl-3-morpholin-4-ylprop-2-enethioamide
Also Known As: (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide, 3-amino-2-cyano-N-methyl-3-morpholino-2-propenethioamide, 4H-901, 3-Amino-2-cyano-N-methyl-3-morpholino-2-propene thioamide, (E)-3-amino-2-cyano-N-methyl-3-morpholin-4-ylprop-2-enethioamide
| Molecular Formula | C9H14N4OS |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | -0.44072 |
| Topological Polar Surface Area | 74.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08884 |
| Heavy Atoms | 15 |
| Complexity | 314.56427 |
Chemical Identifiers
| CAS Number | 167501-37-3 |
|---|---|
| SMILES | CNC(=S)/C(=C(\N)/N1CCOCC1)/C#N |
Product Overview
(2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide (CAS 167501-37-3), with molecular formula C9H14N4OS and molecular weight 226.09 g/mol. IUPAC: (E)-3-amino-2-cyano-N-methyl-3-morpholin-4-ylprop-2-enethioamide.
Chemical Property Profile of (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide
Property Insights of (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide
The XLogP value of -0.44072 indicates that (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide. Following Lipinski's Rule of Five, (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide 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 (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide?
The CAS number of (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide is 167501-37-3.
What is the molecular formula of (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide?
The molecular formula of (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide is C9H14N4OS.
What is the molecular weight of (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide?
The molecular weight of (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide is 226.09 g/mol.
Where can I buy (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide?
You can request a quote for (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)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 (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-amino-2-cyano-N-methyl-3-(morpholin-4-yl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.