1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro-
TL;DR: 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro- (CAS 127971-62-4) is a chemical compound with molecular formula C15H19N3O4 and molecular weight 305.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-7-nitro-1-pentan-3-ylbenzimidazole-5-carboxylic acid
Also Known As: E-4-iodo-3-buten-1-ol, 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro-, 1-(1-Ethylpropyl)-2,6-dimethyl-7-nitro-1H-benzimidazole-5-carboxylic acid, 2,6-Dimethyl-1-(1-ethylpropyl)-7-nitro-1H-benzimidazole-5-carboxylic acid, 2,6-Dimethyl-7-nitro-1-(3-pentanyl)-1H-benzimidazole-5-carboxylic acid
| Molecular Formula | C15H19N3O4 |
|---|---|
| Molecular Weight | 305.14 g/mol |
| LogP | 3.62064 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.13754 |
| Heavy Atoms | 22 |
| Complexity | 759.9687 |
Chemical Identifiers
| CAS Number | 127971-62-4 |
|---|---|
| SMILES | CCC(CC)N1C(=NC2=C1C(=C(C(=C2)C(=O)O)C)[N+](=O)[O-])C |
Product Overview
1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro- (CAS 127971-62-4), with molecular formula C15H19N3O4 and molecular weight 305.14 g/mol. IUPAC: 2,6-dimethyl-7-nitro-1-pentan-3-ylbenzimidazole-5-carboxylic acid.
Chemical Property Profile of 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro-
Property Insights of 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro-
The XLogP value of 3.62064 indicates that 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro-. Following Lipinski's Rule of Five, 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro- has 1 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 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro-?
The CAS number of 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro- is 127971-62-4.
What is the molecular formula of 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro-?
The molecular formula of 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro- is C15H19N3O4.
What is the molecular weight of 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro-?
The molecular weight of 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro- is 305.14 g/mol.
Where can I buy 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro-?
You can request a quote for 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-5-carboxylic acid, 2,6-dimethyl-1-(1-ethylpropyl)-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.