8-((2-Hydroxypropyl)amino)caffeine
TL;DR: 8-((2-Hydroxypropyl)amino)caffeine (CAS 60595-61-1) is a chemical compound with molecular formula C11H17N5O3 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-((2-Hydroxypropyl)amino)caffeine, 8-(beta-Oxypropyl)-aminocoffein, 8-(beta-Oxypropyl)-aminocoffein [German], N-gamma-(Caffeino-(8))-aminopropanol-(1), CAFFEINE, 8-((2-HYDROXYPROPYL)AMINO)-
| Molecular Formula | C11H17N5O3 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.13315 |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 60595-61-1 |
|---|---|
| SMILES | CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)O |
| InChIKey | TVEWRJQZOLMGPB-UHFFFAOYSA-N |
Product Overview
8-((2-Hydroxypropyl)amino)caffeine (CAS 60595-61-1), with molecular formula C11H17N5O3 and molecular weight 267.13 g/mol. IUPAC: 8-(2-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-((2-Hydroxypropyl)amino)caffeine
Property Insights of 8-((2-Hydroxypropyl)amino)caffeine
The XLogP value of -0.4 indicates that 8-((2-Hydroxypropyl)amino)caffeine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-Hydroxypropyl)amino)caffeine. Following Lipinski's Rule of Five, 8-((2-Hydroxypropyl)amino)caffeine has 2 hydrogen bond donor(s) and 5 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-((2-Hydroxypropyl)amino)caffeine?
The CAS number of 8-((2-Hydroxypropyl)amino)caffeine is 60595-61-1.
What is the molecular formula of 8-((2-Hydroxypropyl)amino)caffeine?
The molecular formula of 8-((2-Hydroxypropyl)amino)caffeine is C11H17N5O3.
What is the molecular weight of 8-((2-Hydroxypropyl)amino)caffeine?
The molecular weight of 8-((2-Hydroxypropyl)amino)caffeine is 267.13 g/mol.
Where can I buy 8-((2-Hydroxypropyl)amino)caffeine?
You can request a quote for 8-((2-Hydroxypropyl)amino)caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((2-Hydroxypropyl)amino)caffeine?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-Hydroxypropyl)amino)caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.