BAS 01108666
TL;DR: BAS 01108666 (CAS 332098-56-3) 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.
8-butan-2-ylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: BAS 01108666, UPCMLD0ENAT5783540:001, 8-(butan-2-ylsulfanyl)-3-methyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-butan-2-ylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione, 3-methyl-7-(2-methylprop-2-enyl)-8-(methylpropylthio)-1,3,7-trihydropurine-2,6 -dione
| Molecular Formula | C14H20N4O2S |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 1.89 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1307 |
| Heavy Atoms | 21 |
| Complexity | 799.6325 |
Chemical Identifiers
| CAS Number | 332098-56-3 |
|---|---|
| SMILES | CCC(C)SC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C |
Product Overview
BAS 01108666 (CAS 332098-56-3), with molecular formula C14H20N4O2S and molecular weight 308.13 g/mol. IUPAC: 8-butan-2-ylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of BAS 01108666
Property Insights of BAS 01108666
The XLogP value of 1.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108666. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108666. Following Lipinski's Rule of Five, BAS 01108666 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 BAS 01108666?
The CAS number of BAS 01108666 is 332098-56-3.
What is the molecular formula of BAS 01108666?
The molecular formula of BAS 01108666 is C14H20N4O2S.
What is the molecular weight of BAS 01108666?
The molecular weight of BAS 01108666 is 308.13 g/mol.
Where can I buy BAS 01108666?
You can request a quote for BAS 01108666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108666?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.