8-(Cyclopentyloxy)-caffeine
TL;DR: 8-(Cyclopentyloxy)-caffeine (CAS 73747-33-8) is a chemical compound with molecular formula C13H18N4O3 and molecular weight 278.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-cyclopentyloxy-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(Cyclopentyloxy)caffeine, 8-(Cyclopentyloxy)-caffeine, 8-[Cyclopentyloxy]carfeine, CAFFEINE, 8-(CYCLOPENTYLOXY)-, 8-[Cyclopentyloxy]carffeine
| Molecular Formula | C13H18N4O3 |
|---|---|
| Molecular Weight | 278.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.13788 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 73747-33-8 |
|---|---|
| SMILES | CN1C2=C(N=C1OC3CCCC3)N(C(=O)N(C2=O)C)C |
| InChIKey | DBMKBAZKDMFYLG-UHFFFAOYSA-N |
Product Overview
8-(Cyclopentyloxy)-caffeine (CAS 73747-33-8), with molecular formula C13H18N4O3 and molecular weight 278.14 g/mol. IUPAC: 8-cyclopentyloxy-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(Cyclopentyloxy)-caffeine
Property Insights of 8-(Cyclopentyloxy)-caffeine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Cyclopentyloxy)-caffeine. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Cyclopentyloxy)-caffeine. Following Lipinski's Rule of Five, 8-(Cyclopentyloxy)-caffeine has 0 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-(Cyclopentyloxy)-caffeine?
The CAS number of 8-(Cyclopentyloxy)-caffeine is 73747-33-8.
What is the molecular formula of 8-(Cyclopentyloxy)-caffeine?
The molecular formula of 8-(Cyclopentyloxy)-caffeine is C13H18N4O3.
What is the molecular weight of 8-(Cyclopentyloxy)-caffeine?
The molecular weight of 8-(Cyclopentyloxy)-caffeine is 278.14 g/mol.
Where can I buy 8-(Cyclopentyloxy)-caffeine?
You can request a quote for 8-(Cyclopentyloxy)-caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Cyclopentyloxy)-caffeine?
Yes, KEHONG BIO provides custom synthesis services for 8-(Cyclopentyloxy)-caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.