![(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide structure](/static/products/848/848342-06-3.png)
(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide
TL;DR: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide (CAS 848342-06-3) is a chemical compound with molecular formula C22H17N5O5S and molecular weight 463.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide
Also Known As: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide, 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}prop-2-enamide
| Molecular Formula | C22H17N5O5S |
|---|---|
| Molecular Weight | 463.10 g/mol |
| LogP | 3.79638 |
| Topological Polar Surface Area | 132.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.09503 |
| Heavy Atoms | 33 |
| Complexity | 1310.7456 |
Chemical Identifiers
| CAS Number | 848342-06-3 |
|---|---|
| SMILES | CN1C=CN=C1SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-] |
Product Overview
(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide (CAS 848342-06-3), with molecular formula C22H17N5O5S and molecular weight 463.10 g/mol. IUPAC: (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide
Property Insights of (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide
The XLogP value of 3.79638 indicates that (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide has 1 hydrogen bond donor(s) and 8 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 (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide?
The CAS number of (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide is 848342-06-3.
What is the molecular formula of (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide?
The molecular formula of (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide is C22H17N5O5S.
What is the molecular weight of (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide?
The molecular weight of (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide is 463.10 g/mol.
Where can I buy (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide?
You can request a quote for (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-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 (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.