3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
TL;DR: 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole (CAS 2018-50-0) is a chemical compound with molecular formula C7H12N2 and molecular weight 124.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
Also Known As: 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole, 1H-BENZIMIDAZOLE,3A,4,5,6,7,7A-HEXAHYDRO-, 3a,4,5,6,7,7a-hexahydro-1H-benzoimidazole, 1H-Benzimidazole, 3a,4,5,6,7,7a-hexahydro-, 3A,4,5,6,7,7a-hexahydro-1H-benzo[d]imidazole
| Molecular Formula | C7H12N2 |
|---|---|
| Molecular Weight | 124.10 g/mol |
| LogP | 0.9291 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.10005 |
| Heavy Atoms | 9 |
| Complexity | 130.87784 |
Chemical Identifiers
| CAS Number | 2018-50-0 |
|---|---|
| SMILES | C1CCC2C(C1)NC=N2 |
Product Overview
3a,4,5,6,7,7a-hexahydro-1H-benzimidazole (CAS 2018-50-0), with molecular formula C7H12N2 and molecular weight 124.10 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole.
Chemical Property Profile of 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
Property Insights of 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
The XLogP value of 0.9291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole. With a topological polar surface area (TPSA) of 24.39 Ų, 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole 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 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
The CAS number of 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole is 2018-50-0.
What is the molecular formula of 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
The molecular formula of 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole is C7H12N2.
What is the molecular weight of 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
The molecular weight of 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole is 124.10 g/mol.
Where can I buy 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
You can request a quote for 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,5,6,7,7a-hexahydro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.