1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-
TL;DR: 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl- (CAS 72766-27-9) is a chemical compound with molecular formula C18H19N5O6 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine
Also Known As: 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-, N-(2-(3,4-Dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-1H-benzimidazol-5-amine, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-ben, N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-1,3-benzimidazol-5-amine, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine
| Molecular Formula | C18H19N5O6 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 3.35952 |
| Topological Polar Surface Area | 145.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.13354 |
| Heavy Atoms | 29 |
| Complexity | 1094.0255 |
Chemical Identifiers
| CAS Number | 72766-27-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-] |
Product Overview
1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl- (CAS 72766-27-9), with molecular formula C18H19N5O6 and molecular weight 401.13 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine.
Chemical Property Profile of 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-
Property Insights of 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-
The XLogP value of 3.35952 indicates that 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.45 Ų indicates high polarity, suggesting 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl- has 2 hydrogen bond donor(s) and 8 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, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-?
The CAS number of 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl- is 72766-27-9.
What is the molecular formula of 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-?
The molecular formula of 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl- is C18H19N5O6.
What is the molecular weight of 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-?
The molecular weight of 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl- is 401.13 g/mol.
Where can I buy 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-?
You can request a quote for 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl- 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, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazol-5-amine, N-(2-(3,4-dimethoxyphenyl)ethyl)-4,6-dinitro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.