Cambridge id 5377444
TL;DR: Cambridge id 5377444 (CAS 63052-08-4) is a chemical compound with molecular formula C16H10ClN3 and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile
Also Known As: Maybridge1_005580, DivK1c_001868, 5-25-05-00247 (Beilstein Handbook Reference), 2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile, 2-(1H-Benzoimidazol-2-yl)-3-(2-chloro-phenyl)-acrylonitrile
| Molecular Formula | C16H10ClN3 |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.05634 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 63052-08-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Cl |
| InChIKey | BPSIMQTUJJIVOO-UHFFFAOYSA-N |
Product Overview
Cambridge id 5377444 (CAS 63052-08-4), with molecular formula C16H10ClN3 and molecular weight 279.06 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile.
Chemical Property Profile of Cambridge id 5377444
Property Insights of Cambridge id 5377444
The XLogP value of 3.9 indicates that Cambridge id 5377444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, Cambridge id 5377444 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cambridge id 5377444 has 1 hydrogen bond donor(s) and 2 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 5377444?
The CAS number of Cambridge id 5377444 is 63052-08-4.
What is the molecular formula of Cambridge id 5377444?
The molecular formula of Cambridge id 5377444 is C16H10ClN3.
What is the molecular weight of Cambridge id 5377444?
The molecular weight of Cambridge id 5377444 is 279.06 g/mol.
Where can I buy Cambridge id 5377444?
You can request a quote for Cambridge id 5377444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5377444?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5377444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.