9-(Phenylmethyl)-9H-purin-6-amine
TL;DR: 9-(Phenylmethyl)-9H-purin-6-amine (CAS 4261-14-7) is a chemical compound with molecular formula C12H11N5 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzylpurin-6-amine
Also Known As: 9-Benzyladenine, 9-benzyl-9H-purin-6-amine, N9-Benzyladenine, 9-benzylpurin-6-amine, 9-Benzylaminopurine
| Molecular Formula | C12H11N5 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.10144 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
| Solubility | >33.8 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 4261-14-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)N |
| InChIKey | MRHCSNNEUHXNIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-(Phenylmethyl)-9H-purin-6-amine (CAS 4261-14-7), with molecular formula C12H11N5 and molecular weight 225.10 g/mol. IUPAC: 9-benzylpurin-6-amine.
Chemical Property Profile of 9-(Phenylmethyl)-9H-purin-6-amine
Property Insights of 9-(Phenylmethyl)-9H-purin-6-amine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(Phenylmethyl)-9H-purin-6-amine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(Phenylmethyl)-9H-purin-6-amine. Following Lipinski's Rule of Five, 9-(Phenylmethyl)-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-(Phenylmethyl)-9H-purin-6-amine?
The CAS number of 9-(Phenylmethyl)-9H-purin-6-amine is 4261-14-7.
What is the molecular formula of 9-(Phenylmethyl)-9H-purin-6-amine?
The molecular formula of 9-(Phenylmethyl)-9H-purin-6-amine is C12H11N5.
What is the molecular weight of 9-(Phenylmethyl)-9H-purin-6-amine?
The molecular weight of 9-(Phenylmethyl)-9H-purin-6-amine is 225.10 g/mol.
Where can I buy 9-(Phenylmethyl)-9H-purin-6-amine?
You can request a quote for 9-(Phenylmethyl)-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-(Phenylmethyl)-9H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-(Phenylmethyl)-9H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.