N-benzyl-9-methyl-9H-purin-6-amine
TL;DR: N-benzyl-9-methyl-9H-purin-6-amine (CAS 40598-50-3) is a chemical compound with molecular formula C13H13N5 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-9-methylpurin-6-amine
Also Known As: N-benzyl-9-methylpurin-6-amine, N-benzyl-9-methyl-9H-purin-6-amine, N-6-Benzyl-9-methyl-adenin, 6-BENZYLAMINO-9-METHYLPURINE, Benzyl-(9-methyl-9H-purin-6-yl)-amine
| Molecular Formula | C13H13N5 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.1171 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 40598-50-3 |
|---|---|
| SMILES | CN1C=NC2=C(N=CN=C21)NCC3=CC=CC=C3 |
| InChIKey | WWWMKWQCRJJMPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzyl-9-methyl-9H-purin-6-amine (CAS 40598-50-3), with molecular formula C13H13N5 and molecular weight 239.12 g/mol. IUPAC: N-benzyl-9-methylpurin-6-amine.
Chemical Property Profile of N-benzyl-9-methyl-9H-purin-6-amine
Property Insights of N-benzyl-9-methyl-9H-purin-6-amine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-9-methyl-9H-purin-6-amine. With a topological polar surface area (TPSA) of 55.6 Ų, N-benzyl-9-methyl-9H-purin-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-9-methyl-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 N-benzyl-9-methyl-9H-purin-6-amine?
The CAS number of N-benzyl-9-methyl-9H-purin-6-amine is 40598-50-3.
What is the molecular formula of N-benzyl-9-methyl-9H-purin-6-amine?
The molecular formula of N-benzyl-9-methyl-9H-purin-6-amine is C13H13N5.
What is the molecular weight of N-benzyl-9-methyl-9H-purin-6-amine?
The molecular weight of N-benzyl-9-methyl-9H-purin-6-amine is 239.12 g/mol.
Where can I buy N-benzyl-9-methyl-9H-purin-6-amine?
You can request a quote for N-benzyl-9-methyl-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 N-benzyl-9-methyl-9H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-9-methyl-9H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.