7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol
TL;DR: 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol (CAS 5341-78-6) is a chemical compound with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-7a-methyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-benzimidazole
Also Known As: 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol, AB00081492-01, 1-hydroxy-7a-methyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-benzimidazole, 7a-methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-1,3-benzimidazol-1-ol, 1-hydroxy-7a-methyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-benzoimidazole
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 3.0719 |
| Topological Polar Surface Area | 78.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.12698 |
| Heavy Atoms | 20 |
| Complexity | 569.5318 |
Chemical Identifiers
| CAS Number | 5341-78-6 |
|---|---|
| SMILES | CC12CCCCC1=NC(N2O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol (CAS 5341-78-6), with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol. IUPAC: 1-hydroxy-7a-methyl-2-(4-nitrophenyl)-4,5,6,7-tetrahydro-2H-benzimidazole.
Chemical Property Profile of 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol
Property Insights of 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol
The XLogP value of 3.0719 indicates that 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol. Following Lipinski's Rule of Five, 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol has 1 hydrogen bond donor(s) and 5 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 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol?
The CAS number of 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol is 5341-78-6.
What is the molecular formula of 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol?
The molecular formula of 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol is C14H17N3O3.
What is the molecular weight of 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol?
The molecular weight of 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol is 275.13 g/mol.
Where can I buy 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol?
You can request a quote for 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 7a-Methyl-2-(4-nitrophenyl)-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.