2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate
TL;DR: 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate (CAS 306935-58-0) is a chemical compound with molecular formula C9H15N3O5 and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-nitrobenzimidazole;trihydrate
Also Known As: 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate, 2,2-dimethyl-5-nitrobenzimidazole;trihydrate, 2,2-Dimethyl-5-nitro-2H-benzo[d]imidazole trihydrate, 2,2-dimethyl-5-nitrobenzimidazole trihydrate, 2,2-dimethyl-5-nitro-benzoimidazole Trihydrate
| Molecular Formula | C9H15N3O5 |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | -1.8904 |
| Topological Polar Surface Area | 162.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.10117 |
| Heavy Atoms | 17 |
| Complexity | 525.92316 |
Chemical Identifiers
| CAS Number | 306935-58-0 |
|---|---|
| SMILES | CC1(N=C2C=CC(=CC2=N1)[N+](=O)[O-])C.O.O.O |
Product Overview
2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate (CAS 306935-58-0), with molecular formula C9H15N3O5 and molecular weight 245.10 g/mol. IUPAC: 2,2-dimethyl-5-nitrobenzimidazole;trihydrate.
Chemical Property Profile of 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate
Property Insights of 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate
The XLogP value of -1.8904 indicates that 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.36 Ų indicates high polarity, suggesting 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate has 0 hydrogen bond donor(s) and 4 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 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate?
The CAS number of 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate is 306935-58-0.
What is the molecular formula of 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate?
The molecular formula of 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate is C9H15N3O5.
What is the molecular weight of 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate?
The molecular weight of 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate is 245.10 g/mol.
Where can I buy 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate?
You can request a quote for 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-5-nitro-2H-benzimidazole trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.