1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-
TL;DR: 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)- (CAS 72766-30-4) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzimidazol-5-amine
Also Known As: 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-, 4,6-Dinitro-2-methyl-N-(3-phenylpropyl)-1H-benzimidazol-5-amine, 2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzimidazol-5-amine, 2-Methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-1,3-benzimidazol-5-amine, BRN 0942250
| Molecular Formula | C17H17N5O4 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 3.73242 |
| Topological Polar Surface Area | 126.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.12805 |
| Heavy Atoms | 26 |
| Complexity | 968.1937 |
Chemical Identifiers
| CAS Number | 72766-30-4 |
|---|---|
| SMILES | CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCCC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)- (CAS 72766-30-4), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: 2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzimidazol-5-amine.
Chemical Property Profile of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-
Property Insights of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-
The XLogP value of 3.73242 indicates that 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-. Following Lipinski's Rule of Five, 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)- has 2 hydrogen bond donor(s) and 6 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 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-?
The CAS number of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)- is 72766-30-4.
What is the molecular formula of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-?
The molecular formula of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)- is C17H17N5O4.
What is the molecular weight of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-?
The molecular weight of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)- is 355.13 g/mol.
Where can I buy 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-?
You can request a quote for 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.