RefChem:268573
TL;DR: RefChem:268573 (CAS 72766-28-0) is a chemical compound with molecular formula C15H11N7O4S and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione
Also Known As: 2H-Benzimidazole-2-thione, 1,3-dihydro-5-((2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino)-, 1,3-Dihydro-5-((2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino)-2H-benzimidazole-2-thione, 5-[(2-Methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]-1,3-dihydro-2H-benzimidazole-2-thione, 5-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione, 5-[(2-Methyl-4,6-dinitro-1H-1,3-benzimidazol-5-yl)amino]-1,3-dihydro-2H-1,3-benzimidazole-2-thione
| Molecular Formula | C15H11N7O4S |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 3.97021 |
| Topological Polar Surface Area | 158.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.05933 |
| Heavy Atoms | 27 |
| Complexity | 1302.9738 |
Chemical Identifiers
| CAS Number | 72766-28-0 |
|---|---|
| SMILES | CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NC3=CC4=C(C=C3)NC(=S)N4)[N+](=O)[O-] |
Product Overview
RefChem:268573 (CAS 72766-28-0), with molecular formula C15H11N7O4S and molecular weight 385.06 g/mol. IUPAC: 5-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of RefChem:268573
Property Insights of RefChem:268573
The XLogP value of 3.97021 indicates that RefChem:268573 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.57 Ų indicates high polarity, suggesting RefChem:268573 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:268573 has 4 hydrogen bond donor(s) and 7 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 RefChem:268573?
The CAS number of RefChem:268573 is 72766-28-0.
What is the molecular formula of RefChem:268573?
The molecular formula of RefChem:268573 is C15H11N7O4S.
What is the molecular weight of RefChem:268573?
The molecular weight of RefChem:268573 is 385.06 g/mol.
Where can I buy RefChem:268573?
You can request a quote for RefChem:268573 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268573?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268573 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.