N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid
TL;DR: N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid (CAS 92043-99-7) is a chemical compound with molecular formula C13H17N5O2 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-butanoylpurin-6-yl)butanamide
Also Known As: N-(7-butanoylpurin-6-yl)butanamide, N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid
| Molecular Formula | C13H17N5O2 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.1382 |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 92043-99-7 |
|---|---|
| SMILES | CCCC(=O)NC1=NC=NC2=C1N(C=N2)C(=O)CCC |
| InChIKey | QDXJTKYHBCXIOM-UHFFFAOYSA-N |
Product Overview
N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid (CAS 92043-99-7), with molecular formula C13H17N5O2 and molecular weight 275.14 g/mol. IUPAC: N-(7-butanoylpurin-6-yl)butanamide.
Chemical Property Profile of N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid
Property Insights of N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid. Following Lipinski's Rule of Five, N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid has 1 hydrogen bond donor(s) and 5 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-(7-Butanoyl-7H-purin-6-yl)butanimidic acid?
The CAS number of N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid is 92043-99-7.
What is the molecular formula of N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid?
The molecular formula of N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid is C13H17N5O2.
What is the molecular weight of N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid?
The molecular weight of N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid is 275.14 g/mol.
Where can I buy N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid?
You can request a quote for N-(7-Butanoyl-7H-purin-6-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-(7-Butanoyl-7H-purin-6-yl)butanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(7-Butanoyl-7H-purin-6-yl)butanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.