N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid
TL;DR: N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid (CAS 561-00-2) is a chemical compound with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,6-dimethoxy-1H-benzimidazol-2-yl)butanamide
Also Known As: N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanamide, Butanamide, N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-, 5-25-13-00329 (Beilstein Handbook Reference), N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid, N-(5,6-Dimethoxy-1H-1,3-benzimidazol-2-yl)butanimidic acid
| Molecular Formula | C13H17N3O3 |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.12698 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 561-00-2 |
|---|---|
| SMILES | CCCC(=O)NC1=NC2=CC(=C(C=C2N1)OC)OC |
| InChIKey | CBGVXZXZJBLXPZ-UHFFFAOYSA-N |
Product Overview
N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid (CAS 561-00-2), with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol. IUPAC: N-(5,6-dimethoxy-1H-benzimidazol-2-yl)butanamide.
Chemical Property Profile of N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid
Property Insights of N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid. Following Lipinski's Rule of Five, N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid has 2 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 N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid?
The CAS number of N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid is 561-00-2.
What is the molecular formula of N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid?
The molecular formula of N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid is C13H17N3O3.
What is the molecular weight of N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid?
The molecular weight of N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid is 263.13 g/mol.
Where can I buy N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid?
You can request a quote for N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(5,6-Dimethoxy-1H-benzimidazol-2-yl)butanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.