1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)-
TL;DR: 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)- (CAS 72766-17-7) is a chemical compound with molecular formula C15H13N5O4 and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine
Also Known As: 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)-, 4,6-Dinitro-2-methyl-N-(phenylmethyl)-1H-benzimidazol-5-amine, N-benzyl-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine, N-Benzyl-2-methyl-4,6-dinitro-1H-1,3-benzimidazol-5-amine, BRN 0938352
| Molecular Formula | C15H13N5O4 |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 3.29982 |
| Topological Polar Surface Area | 126.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.09674 |
| Heavy Atoms | 24 |
| Complexity | 935.93744 |
Chemical Identifiers
| CAS Number | 72766-17-7 |
|---|---|
| SMILES | CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)- (CAS 72766-17-7), with molecular formula C15H13N5O4 and molecular weight 327.10 g/mol. IUPAC: N-benzyl-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine.
Chemical Property Profile of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)-
Property Insights of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)-
The XLogP value of 3.29982 indicates that 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)- 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-(phenylmethyl)-. Following Lipinski's Rule of Five, 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)- 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-(phenylmethyl)-?
The CAS number of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)- is 72766-17-7.
What is the molecular formula of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)-?
The molecular formula of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)- is C15H13N5O4.
What is the molecular weight of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)-?
The molecular weight of 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)- is 327.10 g/mol.
Where can I buy 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)-?
You can request a quote for 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)- 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-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.