![(2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile structure](/static/products/469/469877-45-0.png)
(2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile
TL;DR: (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile (CAS 469877-45-0) is a chemical compound with molecular formula C19H17N3OS and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)-4-(4-methylphenyl)sulfanylbut-2-enenitrile
Also Known As: (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile, (Z)-3-hydroxy-2-(1-methyl-1H-benzo[d]imidazol-2-yl)-4-(p-tolylthio)but-2-enenitrile, (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-3-oxobutanenitrile, (Z)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)-4-(4-methylphenyl)sulfanylbut-2-enenitrile, 2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylphenyl)sulfanyl-3-oxobutanenitrile
| Molecular Formula | C19H17N3OS |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.10922 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 469877-45-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC/C(=C(\C#N)/C2=NC3=CC=CC=C3N2C)/O |
| InChIKey | FSMNISRCKNJUDB-SDXDJHTJSA-N |
Product Overview
(2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile (CAS 469877-45-0), with molecular formula C19H17N3OS and molecular weight 335.11 g/mol. IUPAC: (Z)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)-4-(4-methylphenyl)sulfanylbut-2-enenitrile.
Chemical Property Profile of (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile
Property Insights of (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile
The XLogP value of 3.4 indicates that (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile. Following Lipinski's Rule of Five, (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile has 1 hydrogen bond donor(s) and 4 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)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile?
The CAS number of (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile is 469877-45-0.
What is the molecular formula of (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile?
The molecular formula of (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile is C19H17N3OS.
What is the molecular weight of (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile?
The molecular weight of (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile is 335.11 g/mol.
Where can I buy (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile?
You can request a quote for (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-hydroxy-2-(1-methyl-1H-benzimidazol-2-yl)-4-[(4-methylphenyl)sulfanyl]but-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.