N-benzyl-N-butyl-9H-purin-6-amine
TL;DR: N-benzyl-N-butyl-9H-purin-6-amine (CAS 113650-40-1) is a chemical compound with molecular formula C16H19N5 and molecular weight 281.16403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-N-butyl-7H-purin-6-amine
Also Known As: N-benzyl-N-butyl-9H-purin-6-amine, butylbenzylpurin-6-ylamine, 9a-benzyl-9a-butyladenine, N-benzyl-N-butyl-7H-purin-6-amine, Benzyl-butyl-(7H-purin-6-yl)-amine
Technical Specifications
| Molecular Formula | C16H19N5 |
| Molecular Weight | 281.16403 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.16403 Da |
| Heavy Atoms | 21 |
| Complexity | 305.0 |
| SMILES | CCCCN(CC1=CC=CC=C1)C2=NC=NC3=C2NC=N3 |
| InChIKey | NGGQHFDSZHIZSE-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-N-butyl-9H-purin-6-amine
Property Insights of N-benzyl-N-butyl-9H-purin-6-amine
The XLogP value of 3.3 indicates that N-benzyl-N-butyl-9H-purin-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, N-benzyl-N-butyl-9H-purin-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N-butyl-9H-purin-6-amine 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
What is the CAS number of N-benzyl-N-butyl-9H-purin-6-amine?
The CAS number of N-benzyl-N-butyl-9H-purin-6-amine is 113650-40-1.
What is the molecular formula of N-benzyl-N-butyl-9H-purin-6-amine?
The molecular formula of N-benzyl-N-butyl-9H-purin-6-amine is C16H19N5.
What is the molecular weight of N-benzyl-N-butyl-9H-purin-6-amine?
The molecular weight of N-benzyl-N-butyl-9H-purin-6-amine is 281.16403 g/mol.
Where can I buy N-benzyl-N-butyl-9H-purin-6-amine?
You can request a quote for N-benzyl-N-butyl-9H-purin-6-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-N-butyl-9H-purin-6-amine?
Yes, CoreyChem provides custom synthesis services for N-benzyl-N-butyl-9H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.