1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl-
TL;DR: 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl- (CAS 52301-16-3) is a chemical compound with molecular formula C13H9N5O4 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dinitro-N-phenyl-1H-benzimidazol-5-amine
Also Known As: 4,6-Dinitro-N-phenyl-1H-benzimidazol-5-amine, 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl-, 4,6-Dinitro-N-phenyl-1H-1,3-benzimidazol-5-amine, BRN 0935285, RefChem:237454
| Molecular Formula | C13H9N5O4 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 3.1229 |
| Topological Polar Surface Area | 126.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.06546 |
| Heavy Atoms | 22 |
| Complexity | 874.77277 |
Chemical Identifiers
| CAS Number | 52301-16-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-] |
Product Overview
1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl- (CAS 52301-16-3), with molecular formula C13H9N5O4 and molecular weight 299.07 g/mol. IUPAC: 4,6-dinitro-N-phenyl-1H-benzimidazol-5-amine.
Chemical Property Profile of 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl-
Property Insights of 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl-
The XLogP value of 3.1229 indicates that 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl- 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-N-phenyl-. Following Lipinski's Rule of Five, 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl- 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-N-phenyl-?
The CAS number of 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl- is 52301-16-3.
What is the molecular formula of 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl-?
The molecular formula of 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl- is C13H9N5O4.
What is the molecular weight of 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl-?
The molecular weight of 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl- is 299.07 g/mol.
Where can I buy 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl-?
You can request a quote for 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl- 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-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazol-5-amine, 4,6-dinitro-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.