2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile
TL;DR: 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile (CAS 1025237-08-4) is a chemical compound with molecular formula C14H14ClN3O and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethylpent-2-enenitrile
Also Known As: 2-(5-CHLORO(3-HYDROBENZIMIDAZOL-2-YLIDENE))-4,4-DIMETHYL-3-OXOPENTANENITRILE, (Z)-2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethylpent-2-enenitrile, 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile
| Molecular Formula | C14H14ClN3O |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 4.05508 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.08255 |
| Heavy Atoms | 19 |
| Complexity | 701.52985 |
Chemical Identifiers
| CAS Number | 1025237-08-4 |
|---|---|
| SMILES | CC(C)(C)C(=C(C#N)C1=NC2=C(N1)C=C(C=C2)Cl)O |
Product Overview
2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile (CAS 1025237-08-4), with molecular formula C14H14ClN3O and molecular weight 275.08 g/mol. IUPAC: 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethylpent-2-enenitrile.
Chemical Property Profile of 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile
Property Insights of 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile
The XLogP value of 4.05508 indicates that 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile. Following Lipinski's Rule of Five, 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile 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 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile?
The CAS number of 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile is 1025237-08-4.
What is the molecular formula of 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile?
The molecular formula of 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile is C14H14ClN3O.
What is the molecular weight of 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile?
The molecular weight of 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile is 275.08 g/mol.
Where can I buy 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile?
You can request a quote for 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-chloro-1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.