Cambridge id 5377846
TL;DR: Cambridge id 5377846 (CAS 57319-67-2) is a chemical compound with molecular formula C16H10N4O2 and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile
Also Known As: 1H-Benzimidazol-2-acetonitrile,alpha( -, 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile, 2-(1h-benzo[d]imidazol-2-yl)-3-(4-nitrophenyl) acrylonitrile, Cambridge id 5377846
| Molecular Formula | C16H10N4O2 |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.08038 |
| Heavy Atoms | 22 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 57319-67-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C#N |
| InChIKey | ZTVALRSSNNLXKO-UHFFFAOYSA-N |
Product Overview
Cambridge id 5377846 (CAS 57319-67-2), with molecular formula C16H10N4O2 and molecular weight 290.08 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of Cambridge id 5377846
Property Insights of Cambridge id 5377846
The XLogP value of 3.1 indicates that Cambridge id 5377846 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5377846. Following Lipinski's Rule of Five, Cambridge id 5377846 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 Cambridge id 5377846?
The CAS number of Cambridge id 5377846 is 57319-67-2.
What is the molecular formula of Cambridge id 5377846?
The molecular formula of Cambridge id 5377846 is C16H10N4O2.
What is the molecular weight of Cambridge id 5377846?
The molecular weight of Cambridge id 5377846 is 290.08 g/mol.
Where can I buy Cambridge id 5377846?
You can request a quote for Cambridge id 5377846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5377846?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5377846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.