Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-
TL;DR: Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)- (CAS 72766-33-7) is a chemical compound with molecular formula C13H9N5O5 and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]phenol
Also Known As: Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-, 4-((4,6-Dinitro-1H-benzimidazol-5-yl)amino)phenol, 4-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]phenol, 4-[(4,6-Dinitro-1H-1,3-benzimidazol-5-yl)amino]phenol, BRN 0939077
| Molecular Formula | C13H9N5O5 |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 2.8285 |
| Topological Polar Surface Area | 147.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.06036 |
| Heavy Atoms | 23 |
| Complexity | 918.39996 |
Chemical Identifiers
| CAS Number | 72766-33-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-])O |
Product Overview
Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)- (CAS 72766-33-7), with molecular formula C13H9N5O5 and molecular weight 315.06 g/mol. IUPAC: 4-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]phenol.
Chemical Property Profile of Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-
Property Insights of Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-
The XLogP value of 2.8285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-. The TPSA of 147.22 Ų indicates high polarity, suggesting Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)- has 3 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 Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-?
The CAS number of Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)- is 72766-33-7.
What is the molecular formula of Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-?
The molecular formula of Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)- is C13H9N5O5.
What is the molecular weight of Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-?
The molecular weight of Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)- is 315.06 g/mol.
Where can I buy Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-?
You can request a quote for Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-((4,6-dinitro-1H-benzimidazol-5-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.