6-苄氨基嘌呤
TL;DR: 6-苄氨基嘌呤 (CAS 1214-39-7) 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.
6-苄氨基嘌呤
N-benzyl-7H-purin-6-amine
Also Known As: 6-Benzylaminopurine, Benzyladenine, N6-Benzyladenine, 6-Benzyladenine, N-Benzyladenine
| Molecular Formula | C12H11N5 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.10144 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
| Melting Point | 234-235 °C |
| Solubility | Insoluble in most common organic solvents; Soluble in dimethylformamide, dimethyl sulfoxide |
| Vapor Pressure | 2.373X10-6 mPa (1.79X10-11 mm Hg) at 20 °C |
Chemical Identifiers
| CAS Number | 1214-39-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3 |
| InChIKey | NWBJYWHLCVSVIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-苄氨基嘌呤 (CAS 1214-39-7), with molecular formula C12H11N5 and molecular weight 225.10 g/mol. IUPAC: N-benzyl-7H-purin-6-amine.
Chemical Property Profile of 6-苄氨基嘌呤
Property Insights of 6-苄氨基嘌呤
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-苄氨基嘌呤. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-苄氨基嘌呤. Following Lipinski's Rule of Five, 6-苄氨基嘌呤 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 6-苄氨基嘌呤?
The CAS number of 6-苄氨基嘌呤 is 1214-39-7.
What is the molecular formula of 6-苄氨基嘌呤?
The molecular formula of 6-苄氨基嘌呤 is C12H11N5.
What is the molecular weight of 6-苄氨基嘌呤?
The molecular weight of 6-苄氨基嘌呤 is 225.10 g/mol.
Where can I buy 6-苄氨基嘌呤?
You can request a quote for 6-苄氨基嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-苄氨基嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 6-苄氨基嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.