8-(Cyclopentylmethyl)-caffeine
TL;DR: 8-(Cyclopentylmethyl)-caffeine (CAS 73747-32-7) is a chemical compound with molecular formula C14H20N4O2 and molecular weight 276.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(Cyclopentylmethyl)caffeine, 8-(Cyclopentylmethyl)-caffeine, CAFFEINE, 8-(CYCLOPENTYLMETHYL)-, NCIOpen2_006784, 8-(cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione
| Molecular Formula | C14H20N4O2 |
|---|---|
| Molecular Weight | 276.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.15863 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 73747-32-7 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3CCCC3 |
| InChIKey | SULCDSJHCRJOLW-UHFFFAOYSA-N |
Product Overview
8-(Cyclopentylmethyl)-caffeine (CAS 73747-32-7), with molecular formula C14H20N4O2 and molecular weight 276.16 g/mol. IUPAC: 8-(cyclopentylmethyl)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(Cyclopentylmethyl)-caffeine
Property Insights of 8-(Cyclopentylmethyl)-caffeine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Cyclopentylmethyl)-caffeine. With a topological polar surface area (TPSA) of 58.4 Ų, 8-(Cyclopentylmethyl)-caffeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Cyclopentylmethyl)-caffeine has 0 hydrogen bond donor(s) and 3 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-(Cyclopentylmethyl)-caffeine?
The CAS number of 8-(Cyclopentylmethyl)-caffeine is 73747-32-7.
What is the molecular formula of 8-(Cyclopentylmethyl)-caffeine?
The molecular formula of 8-(Cyclopentylmethyl)-caffeine is C14H20N4O2.
What is the molecular weight of 8-(Cyclopentylmethyl)-caffeine?
The molecular weight of 8-(Cyclopentylmethyl)-caffeine is 276.16 g/mol.
Where can I buy 8-(Cyclopentylmethyl)-caffeine?
You can request a quote for 8-(Cyclopentylmethyl)-caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Cyclopentylmethyl)-caffeine?
Yes, KEHONG BIO provides custom synthesis services for 8-(Cyclopentylmethyl)-caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.