BAS 01108661
TL;DR: BAS 01108661 (CAS 336181-33-0) 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-ethylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: BAS 01108661, UPCMLD0ENAT5730950:001, 8-(ethylsulfanyl)-3-methyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-ethylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione, 8-(ethylthio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C12H16N4O2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0994 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 336181-33-0 |
|---|---|
| SMILES | CCSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C |
| InChIKey | UWZZJWLRDIYHQA-UHFFFAOYSA-N |
Product Overview
BAS 01108661 (CAS 336181-33-0), with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol. IUPAC: 8-ethylsulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of BAS 01108661
Property Insights of BAS 01108661
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108661. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108661. Following Lipinski's Rule of Five, BAS 01108661 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 01108661?
The CAS number of BAS 01108661 is 336181-33-0.
What is the molecular formula of BAS 01108661?
The molecular formula of BAS 01108661 is C12H16N4O2S.
What is the molecular weight of BAS 01108661?
The molecular weight of BAS 01108661 is 280.10 g/mol.
Where can I buy BAS 01108661?
You can request a quote for BAS 01108661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108661?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.