BAS 00620076
TL;DR: BAS 00620076 (CAS 330181-99-2) 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-[(2-chlorophenyl)methyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00620076, 7-(2-chlorobenzyl)-8-[(4-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-{[(4-chlorophenyl)methyl]sulfanyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione, 7-(2-chlorobenzyl)-8-((4-chlorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-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 | 330181-99-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC4=CC=CC=C4Cl |
Product Overview
BAS 00620076 (CAS 330181-99-2), with molecular formula C20H16Cl2N4O2S and molecular weight 446.04 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00620076
Property Insights of BAS 00620076
The XLogP value of 4.0707 indicates that BAS 00620076 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 00620076. Following Lipinski's Rule of Five, BAS 00620076 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 00620076?
The CAS number of BAS 00620076 is 330181-99-2.
What is the molecular formula of BAS 00620076?
The molecular formula of BAS 00620076 is C20H16Cl2N4O2S.
What is the molecular weight of BAS 00620076?
The molecular weight of BAS 00620076 is 446.04 g/mol.
Where can I buy BAS 00620076?
You can request a quote for BAS 00620076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620076?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.