8-(p-Aminobenzyl)-caffeine
TL;DR: 8-(p-Aminobenzyl)-caffeine (CAS 5426-89-1) is a chemical compound with molecular formula C15H17N5O2 and molecular weight 299.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-aminophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(p-Aminobenzyl)caffeine, 8-Aminobenzylcaffeine, CAFFEINE, 8-(p-AMINOBENZYL)-, 8-(p-Aminobenzyl)-caffeine, 4-26-00-04012 (Beilstein Handbook Reference)
| Molecular Formula | C15H17N5O2 |
|---|---|
| Molecular Weight | 299.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.1382 |
| Heavy Atoms | 22 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 5426-89-1 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=C(C=C3)N |
| InChIKey | OSKJFYYILYDPAQ-UHFFFAOYSA-N |
Product Overview
8-(p-Aminobenzyl)-caffeine (CAS 5426-89-1), with molecular formula C15H17N5O2 and molecular weight 299.14 g/mol. IUPAC: 8-[(4-aminophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(p-Aminobenzyl)-caffeine
Property Insights of 8-(p-Aminobenzyl)-caffeine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(p-Aminobenzyl)-caffeine. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(p-Aminobenzyl)-caffeine. Following Lipinski's Rule of Five, 8-(p-Aminobenzyl)-caffeine 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 8-(p-Aminobenzyl)-caffeine?
The CAS number of 8-(p-Aminobenzyl)-caffeine is 5426-89-1.
What is the molecular formula of 8-(p-Aminobenzyl)-caffeine?
The molecular formula of 8-(p-Aminobenzyl)-caffeine is C15H17N5O2.
What is the molecular weight of 8-(p-Aminobenzyl)-caffeine?
The molecular weight of 8-(p-Aminobenzyl)-caffeine is 299.14 g/mol.
Where can I buy 8-(p-Aminobenzyl)-caffeine?
You can request a quote for 8-(p-Aminobenzyl)-caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(p-Aminobenzyl)-caffeine?
Yes, KEHONG BIO provides custom synthesis services for 8-(p-Aminobenzyl)-caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.