1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-
TL;DR: 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro- (CAS 72766-35-9) is a chemical compound with molecular formula C9H9N5O4 and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4,6-dinitro-1H-benzimidazol-5-amine
Also Known As: 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-, N,N-Dimethyl-4,6-dinitro-1H-benzimidazol-5-amine, N,N-Dimethyl-4,6-dinitro-1H-1,3-benzimidazol-5-amine, BRN 0927380, RefChem:237455
| Molecular Formula | C9H9N5O4 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.06546 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 72766-35-9 |
|---|---|
| SMILES | CN(C)C1=C(C=C2C(=C1[N+](=O)[O-])N=CN2)[N+](=O)[O-] |
| InChIKey | CRCPWCFFFGGIRM-UHFFFAOYSA-N |
Product Overview
1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro- (CAS 72766-35-9), with molecular formula C9H9N5O4 and molecular weight 251.07 g/mol. IUPAC: N,N-dimethyl-4,6-dinitro-1H-benzimidazol-5-amine.
Chemical Property Profile of 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-
Property Insights of 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-. Following Lipinski's Rule of Five, 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro- has 1 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, N,N-dimethyl-4,6-dinitro-?
The CAS number of 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro- is 72766-35-9.
What is the molecular formula of 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-?
The molecular formula of 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro- is C9H9N5O4.
What is the molecular weight of 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-?
The molecular weight of 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro- is 251.07 g/mol.
Where can I buy 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro-?
You can request a quote for 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro- 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,N-dimethyl-4,6-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazol-5-amine, N,N-dimethyl-4,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.