9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione
TL;DR: 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione (CAS 7465-31-8) is a chemical compound with molecular formula C14H20N4O2S and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione
Also Known As: 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-, 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione, 9-(Cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 1H-PURINE-2,6-DIONE,9-(CYCLOHEXYLMETHYL)-3,7,8,9-TETRAHYDRO-1,3-DIMETHYL-8-THIOXO-
| Molecular Formula | C14H20N4O2S |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 1.67659 |
| Topological Polar Surface Area | 64.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.1307 |
| Heavy Atoms | 21 |
| Complexity | 848.697 |
Chemical Identifiers
| CAS Number | 7465-31-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=S)N2CC3CCCCC3 |
Product Overview
9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione (CAS 7465-31-8), with molecular formula C14H20N4O2S and molecular weight 308.13 g/mol. IUPAC: 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione.
Chemical Property Profile of 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione
Property Insights of 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione
The XLogP value of 1.67659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione. The TPSA of 64.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione has 1 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 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione?
The CAS number of 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione is 7465-31-8.
What is the molecular formula of 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione?
The molecular formula of 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione is C14H20N4O2S.
What is the molecular weight of 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione?
The molecular weight of 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione is 308.13 g/mol.
Where can I buy 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione?
You can request a quote for 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-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 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(cyclohexylmethyl)-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.