Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-
TL;DR: Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)- (CAS 106478-67-5) is a chemical compound with molecular formula C17H21N5O3 and molecular weight 343.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3,7-trimethylpurine-2,6-dione
Also Known As: 1-Phenyl-2-(caffeino-(8))-aminopropanol-(1), 8-((beta-Hydroxy-alpha-methylphenethyl)amino)caffeine, 8-(beta-Phenyl-beta-oxyisopropyl)aminocoffein, 5-26-18-00312 (Beilstein Handbook Reference), 8-(beta-Phenyl-beta-oxyisopropyl)aminocoffein [German]
| Molecular Formula | C17H21N5O3 |
|---|---|
| Molecular Weight | 343.16 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.16443 |
| Heavy Atoms | 25 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 106478-67-5 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C |
| InChIKey | NYGMAEUJKDAYMA-UHFFFAOYSA-N |
Product Overview
Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)- (CAS 106478-67-5), with molecular formula C17H21N5O3 and molecular weight 343.16 g/mol. IUPAC: 8-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-
Property Insights of Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-. Following Lipinski's Rule of Five, Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)- 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 Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-?
The CAS number of Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)- is 106478-67-5.
What is the molecular formula of Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-?
The molecular formula of Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)- is C17H21N5O3.
What is the molecular weight of Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-?
The molecular weight of Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)- is 343.16 g/mol.
Where can I buy Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-?
You can request a quote for Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Caffeine, 8-((beta-hydroxy-alpha-methylphenethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.