![(Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide structure](/static/products/852/852684-99-2.png)
(Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
TL;DR: (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide (CAS 852684-99-2) is a chemical compound with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
Also Known As: (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide, 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-N-[(oxolan-2-yl)methyl]prop-2-enamide
| Molecular Formula | C19H19N5O4S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 2.68168 |
| Topological Polar Surface Area | 123.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.11578 |
| Heavy Atoms | 29 |
| Complexity | 988.72595 |
Chemical Identifiers
| CAS Number | 852684-99-2 |
|---|---|
| SMILES | CN1C=CN=C1SC2=C(C=C(C=C2)/C=C(/C#N)\C(=O)NCC3CCCO3)[N+](=O)[O-] |
Product Overview
(Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide (CAS 852684-99-2), with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol. IUPAC: (Z)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide.
Chemical Property Profile of (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
Property Insights of (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
The XLogP value of 2.68168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide. The TPSA of 123.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide. Following Lipinski's Rule of Five, (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide has 1 hydrogen bond donor(s) and 7 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-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide?
The CAS number of (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide is 852684-99-2.
What is the molecular formula of (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide?
The molecular formula of (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide is C19H19N5O4S.
What is the molecular weight of (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide?
The molecular weight of (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide is 413.12 g/mol.
Where can I buy (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide?
You can request a quote for (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-Cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.