Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-
TL;DR: Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)- (CAS 73747-34-9) is a chemical compound with molecular formula C13H16N4O4 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dihydro-2H-pyran-2-yloxy)-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-((3,4-Dihydro-2H-pyran-2-yl)oxy)caffeine, Caffeine,4-dihydro-2H-pyran-2-yl)oxy]-, CAFFEINE, 8-((3,4-DIHYDRO-2H-PYRAN-2-YL)OXY)-, 8-[(3,4-Dihydro-2H-pyran-2-yl)oxy]caffeine, 8-(3,4-dihydro-2H-pyran-2-yloxy)-1,3,7-trimethylpurine-2,6-dione
| Molecular Formula | C13H16N4O4 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.11716 |
| Heavy Atoms | 21 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 73747-34-9 |
|---|---|
| SMILES | CN1C2=C(N=C1OC3CCC=CO3)N(C(=O)N(C2=O)C)C |
| InChIKey | GPWXHOLHOLBUHO-UHFFFAOYSA-N |
Product Overview
Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)- (CAS 73747-34-9), with molecular formula C13H16N4O4 and molecular weight 292.12 g/mol. IUPAC: 8-(3,4-dihydro-2H-pyran-2-yloxy)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-
Property Insights of Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-. Following Lipinski's Rule of Five, Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)- has 0 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-((3,4-dihydro-2H-pyran-2-yl)oxy)-?
The CAS number of Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)- is 73747-34-9.
What is the molecular formula of Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-?
The molecular formula of Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)- is C13H16N4O4.
What is the molecular weight of Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-?
The molecular weight of Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)- is 292.12 g/mol.
Where can I buy Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-?
You can request a quote for Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for Caffeine, 8-((3,4-dihydro-2H-pyran-2-yl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.