1-methyl-5-nitro-2-Benzimidazolebutyric acid
TL;DR: 1-methyl-5-nitro-2-Benzimidazolebutyric acid (CAS 31349-48-1) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoic acid
Also Known As: Bendamustine Impurity 48, 1-methyl-5-nitro-2-Benzimidazolebutyric acid, Bendamustine HCL intermediate C, BAS 08978621, 4-(1-Methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoic acid
| Molecular Formula | C12H13N3O4 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 1.8888 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.0906 |
| Heavy Atoms | 19 |
| Complexity | 647.7071 |
Chemical Identifiers
| CAS Number | 31349-48-1 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCCC(=O)O |
Product Overview
1-methyl-5-nitro-2-Benzimidazolebutyric acid (CAS 31349-48-1), with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol. IUPAC: 4-(1-methyl-5-nitrobenzimidazol-2-yl)butanoic acid.
Chemical Property Profile of 1-methyl-5-nitro-2-Benzimidazolebutyric acid
Property Insights of 1-methyl-5-nitro-2-Benzimidazolebutyric acid
The XLogP value of 1.8888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-5-nitro-2-Benzimidazolebutyric acid. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-5-nitro-2-Benzimidazolebutyric acid. Following Lipinski's Rule of Five, 1-methyl-5-nitro-2-Benzimidazolebutyric acid 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 1-methyl-5-nitro-2-Benzimidazolebutyric acid?
The CAS number of 1-methyl-5-nitro-2-Benzimidazolebutyric acid is 31349-48-1.
What is the molecular formula of 1-methyl-5-nitro-2-Benzimidazolebutyric acid?
The molecular formula of 1-methyl-5-nitro-2-Benzimidazolebutyric acid is C12H13N3O4.
What is the molecular weight of 1-methyl-5-nitro-2-Benzimidazolebutyric acid?
The molecular weight of 1-methyl-5-nitro-2-Benzimidazolebutyric acid is 263.09 g/mol.
Where can I buy 1-methyl-5-nitro-2-Benzimidazolebutyric acid?
You can request a quote for 1-methyl-5-nitro-2-Benzimidazolebutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-5-nitro-2-Benzimidazolebutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-nitro-2-Benzimidazolebutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.