BAS 01122517
TL;DR: BAS 01122517 (CAS 332103-48-7) is a chemical compound with molecular formula C18H22N4O5S and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxyethylsulfanyl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: BAS 01122517, 8-[(2-hydroxyethyl)sulfanyl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-hydroxy-3-(o-tolyloxy)propyl)-8-((2-hydroxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(2-hydroxyethylsulfanyl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione, 8-(2-hydroxyethylthio)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-1,3,7- trihydropurine-2,6-dione
| Molecular Formula | C18H22N4O5S |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 0.25602 |
| Topological Polar Surface Area | 122.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.1311 |
| Heavy Atoms | 28 |
| Complexity | 1087.75 |
Chemical Identifiers
| CAS Number | 332103-48-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(CN2C3=C(N=C2SCCO)N(C(=O)NC3=O)C)O |
Product Overview
BAS 01122517 (CAS 332103-48-7), with molecular formula C18H22N4O5S and molecular weight 406.13 g/mol. IUPAC: 8-(2-hydroxyethylsulfanyl)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 01122517
Property Insights of BAS 01122517
The XLogP value of 0.25602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122517. The TPSA of 122.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122517. Following Lipinski's Rule of Five, BAS 01122517 has 3 hydrogen bond donor(s) and 7 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 01122517?
The CAS number of BAS 01122517 is 332103-48-7.
What is the molecular formula of BAS 01122517?
The molecular formula of BAS 01122517 is C18H22N4O5S.
What is the molecular weight of BAS 01122517?
The molecular weight of BAS 01122517 is 406.13 g/mol.
Where can I buy BAS 01122517?
You can request a quote for BAS 01122517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122517?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.