BAS 00619013
TL;DR: BAS 00619013 (CAS 331839-80-6) is a chemical compound with molecular formula C21H16Cl2N4O3S and molecular weight 474.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00619013, 7-(4-chlorobenzyl)-8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(4-chlorobenzyl)-8-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(4-CL-BENZYL)-8-(2-(4-CL-PH)-2-OXO-ETHYLSULFANYL)-3-ME-3,7-2H-PURINE-2,6-DIONE, 7-[(4-chlorophenyl)methyl]-8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methylpurine-2,6-dione
| Molecular Formula | C21H16Cl2N4O3S |
|---|---|
| Molecular Weight | 474.03 g/mol |
| LogP | 3.7534 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.032 |
| Heavy Atoms | 31 |
| Complexity | 1389.9052 |
Chemical Identifiers
| CAS Number | 331839-80-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl |
Product Overview
BAS 00619013 (CAS 331839-80-6), with molecular formula C21H16Cl2N4O3S and molecular weight 474.03 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00619013
Property Insights of BAS 00619013
The XLogP value of 3.7534 indicates that BAS 00619013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619013. Following Lipinski's Rule of Five, BAS 00619013 has 1 hydrogen bond donor(s) and 5 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 00619013?
The CAS number of BAS 00619013 is 331839-80-6.
What is the molecular formula of BAS 00619013?
The molecular formula of BAS 00619013 is C21H16Cl2N4O3S.
What is the molecular weight of BAS 00619013?
The molecular weight of BAS 00619013 is 474.03 g/mol.
Where can I buy BAS 00619013?
You can request a quote for BAS 00619013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619013?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.