![2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide structure](/static/products/852/852902-11-5.png)
2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide
TL;DR: 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide (CAS 852902-11-5) is a chemical compound with molecular formula C14H11N5O3S and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide
Also Known As: (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide, 2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enamide, 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide
| Molecular Formula | C14H11N5O3S |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 1.87178 |
| Topological Polar Surface Area | 127.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.05826 |
| Heavy Atoms | 23 |
| Complexity | 850.3379 |
Chemical Identifiers
| CAS Number | 852902-11-5 |
|---|---|
| SMILES | CN1C=CN=C1SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)[N+](=O)[O-] |
Product Overview
2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide (CAS 852902-11-5), with molecular formula C14H11N5O3S and molecular weight 329.06 g/mol. IUPAC: (E)-2-cyano-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide.
Chemical Property Profile of 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide
Property Insights of 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide
The XLogP value of 1.87178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide. The TPSA of 127.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide. Following Lipinski's Rule of Five, 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide has 1 hydrogen bond donor(s) and 6 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 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide?
The CAS number of 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide is 852902-11-5.
What is the molecular formula of 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide?
The molecular formula of 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide is C14H11N5O3S.
What is the molecular weight of 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide?
The molecular weight of 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide is 329.06 g/mol.
Where can I buy 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide?
You can request a quote for 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}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 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.