3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
TL;DR: 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile (CAS 476279-57-9) is a chemical compound with molecular formula C17H12N4O3 and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
Also Known As: 2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-(3-nitrophenyl)-3-oxopropanenitrile
| Molecular Formula | C17H12N4O3 |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 3.43138 |
| Topological Polar Surface Area | 104.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.09094 |
| Heavy Atoms | 24 |
| Complexity | 1027.7368 |
Chemical Identifiers
| CAS Number | 476279-57-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C(=C(C3=CC(=CC=C3)[N+](=O)[O-])O)C#N |
Product Overview
3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile (CAS 476279-57-9), with molecular formula C17H12N4O3 and molecular weight 320.09 g/mol. IUPAC: 3-hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
Property Insights of 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
The XLogP value of 3.43138 indicates that 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile has 1 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 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
The CAS number of 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is 476279-57-9.
What is the molecular formula of 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
The molecular formula of 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is C17H12N4O3.
What is the molecular weight of 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
The molecular weight of 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is 320.09 g/mol.
Where can I buy 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
You can request a quote for 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-(1-methylbenzimidazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.