9H-Purine, 9-butyl-
TL;DR: 9H-Purine, 9-butyl- (CAS 83172-76-3) is a chemical compound with molecular formula C9H12N4 and molecular weight 176.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-butylpurine
Also Known As: 9-butyl-9h-purine, 9-butylpurine, 9H-Purine, 9-butyl-
| Molecular Formula | C9H12N4 |
|---|---|
| Molecular Weight | 176.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.1062 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 83172-76-3 |
|---|---|
| SMILES | CCCCN1C=NC2=CN=CN=C21 |
| InChIKey | KXLZDRFOELIMKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9H-Purine, 9-butyl- (CAS 83172-76-3), with molecular formula C9H12N4 and molecular weight 176.11 g/mol. IUPAC: 9-butylpurine.
Chemical Property Profile of 9H-Purine, 9-butyl-
Property Insights of 9H-Purine, 9-butyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Purine, 9-butyl-. With a topological polar surface area (TPSA) of 43.6 Ų, 9H-Purine, 9-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Purine, 9-butyl- has 0 hydrogen bond donor(s) and 3 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 9H-Purine, 9-butyl-?
The CAS number of 9H-Purine, 9-butyl- is 83172-76-3.
What is the molecular formula of 9H-Purine, 9-butyl-?
The molecular formula of 9H-Purine, 9-butyl- is C9H12N4.
What is the molecular weight of 9H-Purine, 9-butyl-?
The molecular weight of 9H-Purine, 9-butyl- is 176.11 g/mol.
Where can I buy 9H-Purine, 9-butyl-?
You can request a quote for 9H-Purine, 9-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purine, 9-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purine, 9-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.