N-butyl-7H-purin-6-amine
TL;DR: N-butyl-7H-purin-6-amine (CAS 5451-41-2) is a chemical compound with molecular formula C9H13N5 and molecular weight 191.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-7H-purin-6-amine
Also Known As: Adenine, n-butyl-, N6 -n-butyladenine, 6-n-butylaminopurine, butylpurin-6-ylamine, N-butyl-7H-purin-6-amine
| Molecular Formula | C9H13N5 |
|---|---|
| Molecular Weight | 191.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.1171 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 5451-41-2 |
|---|---|
| SMILES | CCCCNC1=NC=NC2=C1NC=N2 |
| InChIKey | CRYKTDPNUYNOTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-butyl-7H-purin-6-amine (CAS 5451-41-2), with molecular formula C9H13N5 and molecular weight 191.12 g/mol. IUPAC: N-butyl-7H-purin-6-amine.
Chemical Property Profile of N-butyl-7H-purin-6-amine
Property Insights of N-butyl-7H-purin-6-amine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-7H-purin-6-amine. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-7H-purin-6-amine. Following Lipinski's Rule of Five, N-butyl-7H-purin-6-amine 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-butyl-7H-purin-6-amine?
The CAS number of N-butyl-7H-purin-6-amine is 5451-41-2.
What is the molecular formula of N-butyl-7H-purin-6-amine?
The molecular formula of N-butyl-7H-purin-6-amine is C9H13N5.
What is the molecular weight of N-butyl-7H-purin-6-amine?
The molecular weight of N-butyl-7H-purin-6-amine is 191.12 g/mol.
Where can I buy N-butyl-7H-purin-6-amine?
You can request a quote for N-butyl-7H-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-7H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-7H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.