Cambridge id 5377596
TL;DR: Cambridge id 5377596 (CAS 79613-18-6) is a chemical compound with molecular formula C16H11N3O and molecular weight 261.09 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-hydroxyphenyl)prop-2-enenitrile
Also Known As: Maybridge1_005666, DivK1c_001954, CDS1_000914, 1H-Benzimidazole-2-acetonitrile,a-[(4-hydroxyphenyl)methylene]-, (2E)-2-(1H-BENZIMIDAZOL-2-YL)-3-(4-HYDROXYPHENYL)ACRYLONITRILE
| Molecular Formula | C16H11N3O |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0902 |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 79613-18-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(C=C3)O)C#N |
| InChIKey | ITYSPALUFDQELV-UHFFFAOYSA-N |
Product Overview
Cambridge id 5377596 (CAS 79613-18-6), with molecular formula C16H11N3O and molecular weight 261.09 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl)prop-2-enenitrile.
Chemical Property Profile of Cambridge id 5377596
Property Insights of Cambridge id 5377596
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cambridge id 5377596. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5377596. Following Lipinski's Rule of Five, Cambridge id 5377596 has 2 hydrogen bond donor(s) and 3 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 5377596?
The CAS number of Cambridge id 5377596 is 79613-18-6.
What is the molecular formula of Cambridge id 5377596?
The molecular formula of Cambridge id 5377596 is C16H11N3O.
What is the molecular weight of Cambridge id 5377596?
The molecular weight of Cambridge id 5377596 is 261.09 g/mol.
Where can I buy Cambridge id 5377596?
You can request a quote for Cambridge id 5377596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5377596?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5377596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.