BAS 00620069
TL;DR: BAS 00620069 (CAS 331841-45-3) is a chemical compound with molecular formula C15H14Cl2N4O2S and molecular weight 384.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-chloroethylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00620069, 7-(2-chlorobenzyl)-8-[(2-chloroethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-(2-chloroethylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione, 7-(2-chlorobenzyl)-8-((2-chloroethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(2-chloroethylthio)-7-[(2-chlorophenyl)methyl]-3-methyl-1,3,7-trihydropurine -2,6-dione
| Molecular Formula | C15H14Cl2N4O2S |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | 2.4559 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.02145 |
| Heavy Atoms | 24 |
| Complexity | 1008.8572 |
Chemical Identifiers
| CAS Number | 331841-45-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCl)CC3=CC=CC=C3Cl |
Product Overview
BAS 00620069 (CAS 331841-45-3), with molecular formula C15H14Cl2N4O2S and molecular weight 384.02 g/mol. IUPAC: 8-(2-chloroethylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00620069
Property Insights of BAS 00620069
The XLogP value of 2.4559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00620069. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00620069. Following Lipinski's Rule of Five, BAS 00620069 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 00620069?
The CAS number of BAS 00620069 is 331841-45-3.
What is the molecular formula of BAS 00620069?
The molecular formula of BAS 00620069 is C15H14Cl2N4O2S.
What is the molecular weight of BAS 00620069?
The molecular weight of BAS 00620069 is 384.02 g/mol.
Where can I buy BAS 00620069?
You can request a quote for BAS 00620069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620069?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.