9-isopropyl-9H-purin-6-amine
TL;DR: 9-isopropyl-9H-purin-6-amine (CAS 31601-35-1) is a chemical compound with molecular formula C8H11N5 and molecular weight 177.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-propan-2-ylpurin-6-amine
Also Known As: 9-isopropyl-9H-purin-6-amine, 9-Isopropyl-9H-adenine, 9-propan-2-ylpurin-6-amine, 6-Amino-9-isopropyl-9H-purine, 9H-Purin-6-amine, 9-(1-methylethyl)-
| Molecular Formula | C8H11N5 |
|---|---|
| Molecular Weight | 177.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.10144 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 31601-35-1 |
|---|---|
| SMILES | CC(C)N1C=NC2=C(N=CN=C21)N |
| InChIKey | BCMZIPWCRGOWEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-isopropyl-9H-purin-6-amine (CAS 31601-35-1), with molecular formula C8H11N5 and molecular weight 177.10 g/mol. IUPAC: 9-propan-2-ylpurin-6-amine.
Chemical Property Profile of 9-isopropyl-9H-purin-6-amine
Property Insights of 9-isopropyl-9H-purin-6-amine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-isopropyl-9H-purin-6-amine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-isopropyl-9H-purin-6-amine. Following Lipinski's Rule of Five, 9-isopropyl-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
Frequently Asked Questions
What is the CAS number of 9-isopropyl-9H-purin-6-amine?
The CAS number of 9-isopropyl-9H-purin-6-amine is 31601-35-1.
What is the molecular formula of 9-isopropyl-9H-purin-6-amine?
The molecular formula of 9-isopropyl-9H-purin-6-amine is C8H11N5.
What is the molecular weight of 9-isopropyl-9H-purin-6-amine?
The molecular weight of 9-isopropyl-9H-purin-6-amine is 177.10 g/mol.
Where can I buy 9-isopropyl-9H-purin-6-amine?
You can request a quote for 9-isopropyl-9H-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 9-isopropyl-9H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-isopropyl-9H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.