5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole
TL;DR: 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole (CAS 694486-49-2) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-1-(2-methylpropyl)benzimidazole
Also Known As: 5,6-dimethyl-1-(2-methylpropyl)benzimidazole, 1-isobutyl-5,6-dimethyl-1H-benzimidazole, 1-isobutyl-5,6-dimethyl-1H-benzo[d]imidazole, 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole, VU0049448-3
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 3.30914 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 480.48676 |
Chemical Identifiers
| CAS Number | 694486-49-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)CC(C)C |
Product Overview
5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole (CAS 694486-49-2), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: 5,6-dimethyl-1-(2-methylpropyl)benzimidazole.
Chemical Property Profile of 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole
Property Insights of 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole
The XLogP value of 3.30914 indicates that 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole has 0 hydrogen bond donor(s) and 1 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 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole?
The CAS number of 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole is 694486-49-2.
What is the molecular formula of 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole?
The molecular formula of 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole is C13H18N2.
What is the molecular weight of 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole?
The molecular weight of 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole is 202.15 g/mol.
Where can I buy 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole?
You can request a quote for 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-1-(2-methylpropyl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.