BAS 00620080
TL;DR: BAS 00620080 (CAS 316358-98-2) is a chemical compound with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-3-methyl-8-phenacylsulfanylpurine-2,6-dione
Also Known As: BAS 00620080, 7-(2-chlorobenzyl)-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-3-methyl-8-phenacylsulfanylpurine-2,6-dione, 7-[(2-chlorophenyl)methyl]-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2-chlorobenzyl)-3-methyl-8-((2-oxo-2-phenylethyl)thio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H17ClN4O3S |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.07098 |
| Heavy Atoms | 30 |
| Complexity | 1358.432 |
Chemical Identifiers
| CAS Number | 316358-98-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4Cl |
Product Overview
BAS 00620080 (CAS 316358-98-2), with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-3-methyl-8-phenacylsulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 00620080
Property Insights of BAS 00620080
The XLogP value of 3.1 indicates that BAS 00620080 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 00620080. Following Lipinski's Rule of Five, BAS 00620080 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 00620080?
The CAS number of BAS 00620080 is 316358-98-2.
What is the molecular formula of BAS 00620080?
The molecular formula of BAS 00620080 is C21H17ClN4O3S.
What is the molecular weight of BAS 00620080?
The molecular weight of BAS 00620080 is 440.07 g/mol.
Where can I buy BAS 00620080?
You can request a quote for BAS 00620080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620080?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.