8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
TL;DR: 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione (CAS 74039-72-8) is a chemical compound with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-cyclopentylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Cyclopentylthiotheophylline, Theophylline, 8-cyclopentylthio-, 8-cyclopentylthio-theophylline, 8-(Cyclopentylthio)theophyline, 8-cyclopentylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
| Molecular Formula | C12H16N4O2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 0.995 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.0994 |
| Heavy Atoms | 19 |
| Complexity | 736.4929 |
Chemical Identifiers
| CAS Number | 74039-72-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3CCCC3 |
Product Overview
8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione (CAS 74039-72-8), with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol. IUPAC: 8-cyclopentylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Property Insights of 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
The XLogP value of 0.995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione has 1 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-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione is 74039-72-8.
What is the molecular formula of 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione is C12H16N4O2S.
What is the molecular weight of 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione is 280.10 g/mol.
Where can I buy 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Cyclopentylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.