8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 332033-50-8) is a chemical compound with molecular formula C16H26N4O2S and molecular weight 338.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butan-2-ylsulfanyl-7-hexyl-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5774768:001, BAS 00844499, 8-butan-2-ylsulfanyl-7-hexyl-3-methylpurine-2,6-dione, AB00987013-01, 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H26N4O2S |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 2.8942 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.17764 |
| Heavy Atoms | 23 |
| Complexity | 774.7038 |
Chemical Identifiers
| CAS Number | 332033-50-8 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SC(C)CC)N(C(=O)NC2=O)C |
Product Overview
8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 332033-50-8), with molecular formula C16H26N4O2S and molecular weight 338.18 g/mol. IUPAC: 8-butan-2-ylsulfanyl-7-hexyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.8942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-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-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 332033-50-8.
What is the molecular formula of 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C16H26N4O2S.
What is the molecular weight of 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 338.18 g/mol.
Where can I buy 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-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-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(sec-butylsulfanyl)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.