BAS 01108686
TL;DR: BAS 01108686 (CAS 332098-78-9) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methylprop-2-enyl)-8-(2-phenylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 01108686, 3-methyl-7-(2-methylprop-2-en-1-yl)-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-7-(2-methylprop-2-enyl)-8-(2-phenylethylsulfanyl)purine-2,6-dione, 3-methyl-7-(2-methylallyl)-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(2-methylprop-2-enyl)-8-phenethylsulfanylpurine-2,6-dione
| Molecular Formula | C18H20N4O2S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 2.3342 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.1307 |
| Heavy Atoms | 25 |
| Complexity | 1030.8961 |
Chemical Identifiers
| CAS Number | 332098-78-9 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
BAS 01108686 (CAS 332098-78-9), with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol. IUPAC: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-phenylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of BAS 01108686
Property Insights of BAS 01108686
The XLogP value of 2.3342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108686. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108686. Following Lipinski's Rule of Five, BAS 01108686 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 01108686?
The CAS number of BAS 01108686 is 332098-78-9.
What is the molecular formula of BAS 01108686?
The molecular formula of BAS 01108686 is C18H20N4O2S.
What is the molecular weight of BAS 01108686?
The molecular weight of BAS 01108686 is 356.13 g/mol.
Where can I buy BAS 01108686?
You can request a quote for BAS 01108686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108686?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.