BAS 00619000
TL;DR: BAS 00619000 (CAS 331839-76-0) is a chemical compound with molecular formula C20H16Cl2N4O2S and molecular weight 446.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-[(2-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00619000, 7-(4-chlorobenzyl)-8-[(2-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-8-[(2-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione, 7-(4-chlorobenzyl)-8-((2-chlorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(4-chlorophenyl)methyl]-8-[(2-chlorophenyl)methylthio]-3-methyl-1,3,7-trihy dropurine-2,6-dione
| Molecular Formula | C20H16Cl2N4O2S |
|---|---|
| Molecular Weight | 446.04 g/mol |
| LogP | 4.0707 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.0371 |
| Heavy Atoms | 29 |
| Complexity | 1309.0483 |
Chemical Identifiers
| CAS Number | 331839-76-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC4=CC=C(C=C4)Cl |
Product Overview
BAS 00619000 (CAS 331839-76-0), with molecular formula C20H16Cl2N4O2S and molecular weight 446.04 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-[(2-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00619000
Property Insights of BAS 00619000
The XLogP value of 4.0707 indicates that BAS 00619000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619000. Following Lipinski's Rule of Five, BAS 00619000 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 00619000?
The CAS number of BAS 00619000 is 331839-76-0.
What is the molecular formula of BAS 00619000?
The molecular formula of BAS 00619000 is C20H16Cl2N4O2S.
What is the molecular weight of BAS 00619000?
The molecular weight of BAS 00619000 is 446.04 g/mol.
Where can I buy BAS 00619000?
You can request a quote for BAS 00619000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619000?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.