BAS 01122521
TL;DR: BAS 01122521 (CAS 332103-50-1) is a chemical compound with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethylsulfanyl-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: BAS 01122521, AB00137701-02, AB00137701-10, 8-Ethylsulfanyl-7-(2-hydroxy-3-o-tolyloxy-propyl)-3-methyl-3,7-dihydro-purine-2,6-dione, F0403-0002
| Molecular Formula | C18H22N4O4S |
|---|---|
| Molecular Weight | 390.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.13617 |
| Heavy Atoms | 27 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 332103-50-1 |
|---|---|
| SMILES | CCSC1=NC2=C(N1CC(COC3=CC=CC=C3C)O)C(=O)NC(=O)N2C |
| InChIKey | BCOKENSPGQCKLE-UHFFFAOYSA-N |
Product Overview
BAS 01122521 (CAS 332103-50-1), with molecular formula C18H22N4O4S and molecular weight 390.14 g/mol. IUPAC: 8-ethylsulfanyl-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 01122521
Property Insights of BAS 01122521
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122521. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122521. Following Lipinski's Rule of Five, BAS 01122521 has 2 hydrogen bond donor(s) and 6 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 01122521?
The CAS number of BAS 01122521 is 332103-50-1.
What is the molecular formula of BAS 01122521?
The molecular formula of BAS 01122521 is C18H22N4O4S.
What is the molecular weight of BAS 01122521?
The molecular weight of BAS 01122521 is 390.14 g/mol.
Where can I buy BAS 01122521?
You can request a quote for BAS 01122521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122521?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.