BAS 01122568
TL;DR: BAS 01122568 (CAS 332103-71-6) is a chemical compound with molecular formula C19H22N4O6S and molecular weight 434.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid
Also Known As: BAS 01122568, 3-({7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid, 3-((7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)propanoic acid, 3-[7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid, 3-{7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,6-dioxo-1,3,7-trihydropu rin-8-ylthio}propanoic acid
| Molecular Formula | C19H22N4O6S |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 0.73842 |
| Topological Polar Surface Area | 139.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.126 |
| Heavy Atoms | 30 |
| Complexity | 1181.9618 |
Chemical Identifiers
| CAS Number | 332103-71-6 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(CN2C3=C(N=C2SCCC(=O)O)N(C(=O)NC3=O)C)O |
Product Overview
BAS 01122568 (CAS 332103-71-6), with molecular formula C19H22N4O6S and molecular weight 434.13 g/mol. IUPAC: 3-[7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylpropanoic acid.
Chemical Property Profile of BAS 01122568
Property Insights of BAS 01122568
The XLogP value of 0.73842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122568. The TPSA of 139.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122568. Following Lipinski's Rule of Five, BAS 01122568 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 01122568?
The CAS number of BAS 01122568 is 332103-71-6.
What is the molecular formula of BAS 01122568?
The molecular formula of BAS 01122568 is C19H22N4O6S.
What is the molecular weight of BAS 01122568?
The molecular weight of BAS 01122568 is 434.13 g/mol.
Where can I buy BAS 01122568?
You can request a quote for BAS 01122568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122568?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.