3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile
TL;DR: 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile (CAS 57320-18-0) is a chemical compound with molecular formula C13H13N3 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)but-2-enenitrile
Also Known As: BAS 00349883, 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile, 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)but-2-enenitrile, 3-Methyl-2-(6-methyl-1H-benzoimidazol-2-yl)-but-2-enenitrile
| Molecular Formula | C13H13N3 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 3.1883 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.11095 |
| Heavy Atoms | 16 |
| Complexity | 607.6297 |
Chemical Identifiers
| CAS Number | 57320-18-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)C(=C(C)C)C#N |
Product Overview
3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile (CAS 57320-18-0), with molecular formula C13H13N3 and molecular weight 211.11 g/mol. IUPAC: 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)but-2-enenitrile.
Chemical Property Profile of 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile
Property Insights of 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile
The XLogP value of 3.1883 indicates that 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile 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 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile?
The CAS number of 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile is 57320-18-0.
What is the molecular formula of 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile?
The molecular formula of 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile is C13H13N3.
What is the molecular weight of 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile?
The molecular weight of 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile is 211.11 g/mol.
Where can I buy 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile?
You can request a quote for 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-2-butenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.