BAS 01108677
TL;DR: BAS 01108677 (CAS 332098-70-1) is a chemical compound with molecular formula C17H17ClN4O2S and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: BAS 01108677, 8-((4-chlorobenzyl)thio)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione, 8-[(4-chlorobenzyl)sulfanyl]-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 8-(4-CL-BENZYLSULFANYL)-3-METHYL-7-(2-METHYL-ALLYL)-3,7-DIHYDRO-PURINE-2,6-DIONE, 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
| Molecular Formula | C17H17ClN4O2S |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 2.9451 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.07608 |
| Heavy Atoms | 25 |
| Complexity | 1063.1719 |
Chemical Identifiers
| CAS Number | 332098-70-1 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C |
Product Overview
BAS 01108677 (CAS 332098-70-1), with molecular formula C17H17ClN4O2S and molecular weight 376.08 g/mol. IUPAC: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of BAS 01108677
Property Insights of BAS 01108677
The XLogP value of 2.9451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108677. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108677. Following Lipinski's Rule of Five, BAS 01108677 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 01108677?
The CAS number of BAS 01108677 is 332098-70-1.
What is the molecular formula of BAS 01108677?
The molecular formula of BAS 01108677 is C17H17ClN4O2S.
What is the molecular weight of BAS 01108677?
The molecular weight of BAS 01108677 is 376.08 g/mol.
Where can I buy BAS 01108677?
You can request a quote for BAS 01108677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108677?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.