BAS 00552945
TL;DR: BAS 00552945 (CAS 330829-01-1) is a chemical compound with molecular formula C20H26N8O4S2 and molecular weight 506.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylethylsulfanyl]-7-propylpurine-2,6-dione
Also Known As: BAS 00552945, 8,8'-(ethane-1,2-diylbis(sulfanediyl))bis(3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione), 3-methyl-8-[2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylethylsulfanyl]-7-propylpurine-2,6-dione, 8,8'-(ethane-1,2-diyldisulfanediyl)bis(3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione)
| Molecular Formula | C20H26N8O4S2 |
|---|---|
| Molecular Weight | 506.15 g/mol |
| LogP | 0.8644 |
| Topological Polar Surface Area | 145.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 506.15186 |
| Heavy Atoms | 34 |
| Complexity | 1483.7926 |
Chemical Identifiers
| CAS Number | 330829-01-1 |
|---|---|
| SMILES | CCCN1C2=C(N=C1SCCSC3=NC4=C(N3CCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C |
Product Overview
BAS 00552945 (CAS 330829-01-1), with molecular formula C20H26N8O4S2 and molecular weight 506.15 g/mol. IUPAC: 3-methyl-8-[2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylethylsulfanyl]-7-propylpurine-2,6-dione.
Chemical Property Profile of BAS 00552945
Property Insights of BAS 00552945
The XLogP value of 0.8644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00552945. The TPSA of 145.36 Ų indicates high polarity, suggesting BAS 00552945 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00552945 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00552945?
The CAS number of BAS 00552945 is 330829-01-1.
What is the molecular formula of BAS 00552945?
The molecular formula of BAS 00552945 is C20H26N8O4S2.
What is the molecular weight of BAS 00552945?
The molecular weight of BAS 00552945 is 506.15 g/mol.
Where can I buy BAS 00552945?
You can request a quote for BAS 00552945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552945?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.