![(2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide structure](/static/products/299/299442-79-8.png)
(2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide
TL;DR: (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide (CAS 299442-79-8) is a chemical compound with molecular formula C10H8N4O2S and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-cyano-3-(4-nitroanilino)prop-2-enethioamide
Also Known As: AB00078930-01, (Z)-2-cyano-3-(4-nitroanilino)prop-2-enethioamide, (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide, (Z)-2-cyano-3-((4-nitrophenyl)amino)prop-2-enethioamide, (2Z)-2-(aminothioxomethyl)-3-[(4-nitrophenyl)amino]prop-2-enenitrile
| Molecular Formula | C10H8N4O2S |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 1.70028 |
| Topological Polar Surface Area | 104.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.0368 |
| Heavy Atoms | 17 |
| Complexity | 516.1026 |
Chemical Identifiers
| CAS Number | 299442-79-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N/C=C(/C#N)\C(=S)N)[N+](=O)[O-] |
Product Overview
(2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide (CAS 299442-79-8), with molecular formula C10H8N4O2S and molecular weight 248.04 g/mol. IUPAC: (Z)-2-cyano-3-(4-nitroanilino)prop-2-enethioamide.
Chemical Property Profile of (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide
Property Insights of (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide
The XLogP value of 1.70028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide. The TPSA of 104.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide. Following Lipinski's Rule of Five, (2Z)-2-cyano-3-[(4-nitrophenyl)amino]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 (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide?
The CAS number of (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide is 299442-79-8.
What is the molecular formula of (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide?
The molecular formula of (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide is C10H8N4O2S.
What is the molecular weight of (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide?
The molecular weight of (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide is 248.04 g/mol.
Where can I buy (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide?
You can request a quote for (2Z)-2-cyano-3-[(4-nitrophenyl)amino]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 (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-cyano-3-[(4-nitrophenyl)amino]prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.