Caffeine, 8-((3-hydroxypropyl)amino)-
TL;DR: Caffeine, 8-((3-hydroxypropyl)amino)- (CAS 95073-80-6) 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-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione
Also Known As: G 90a, 8-((3-Hydroxypropyl)amino)caffeine, 8-(gamma-Oxypropyl)-aminocoffein, G-90a, CAFFEINE, 8-((3-HYDROXYPROPYL)AMINO)-
| Molecular Formula | C11H17N5O3 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.13315 |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 95073-80-6 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)C)C |
| InChIKey | WYIRAEXIRSTMPM-UHFFFAOYSA-N |
Product Overview
Caffeine, 8-((3-hydroxypropyl)amino)- (CAS 95073-80-6), with molecular formula C11H17N5O3 and molecular weight 267.13 g/mol. IUPAC: 8-(3-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Caffeine, 8-((3-hydroxypropyl)amino)-
Property Insights of Caffeine, 8-((3-hydroxypropyl)amino)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caffeine, 8-((3-hydroxypropyl)amino)-. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Caffeine, 8-((3-hydroxypropyl)amino)-. Following Lipinski's Rule of Five, Caffeine, 8-((3-hydroxypropyl)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-((3-hydroxypropyl)amino)-?
The CAS number of Caffeine, 8-((3-hydroxypropyl)amino)- is 95073-80-6.
What is the molecular formula of Caffeine, 8-((3-hydroxypropyl)amino)-?
The molecular formula of Caffeine, 8-((3-hydroxypropyl)amino)- is C11H17N5O3.
What is the molecular weight of Caffeine, 8-((3-hydroxypropyl)amino)-?
The molecular weight of Caffeine, 8-((3-hydroxypropyl)amino)- is 267.13 g/mol.
Where can I buy Caffeine, 8-((3-hydroxypropyl)amino)-?
You can request a quote for Caffeine, 8-((3-hydroxypropyl)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-((3-hydroxypropyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Caffeine, 8-((3-hydroxypropyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.