BAS 00620053
TL;DR: BAS 00620053 (CAS 313470-31-4) is a chemical compound with molecular formula C15H15ClN4O2S and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00620053, AB01256631-02, 7-[(2-chlorophenyl)methyl]-8-(ethylsulfanyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione, 7-(2-chlorobenzyl)-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H15ClN4O2S |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 2.237 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.06042 |
| Heavy Atoms | 23 |
| Complexity | 989.2861 |
Chemical Identifiers
| CAS Number | 313470-31-4 |
|---|---|
| SMILES | CCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C |
Product Overview
BAS 00620053 (CAS 313470-31-4), with molecular formula C15H15ClN4O2S and molecular weight 350.06 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00620053
Property Insights of BAS 00620053
The XLogP value of 2.237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00620053. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00620053. Following Lipinski's Rule of Five, BAS 00620053 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 00620053?
The CAS number of BAS 00620053 is 313470-31-4.
What is the molecular formula of BAS 00620053?
The molecular formula of BAS 00620053 is C15H15ClN4O2S.
What is the molecular weight of BAS 00620053?
The molecular weight of BAS 00620053 is 350.06 g/mol.
Where can I buy BAS 00620053?
You can request a quote for BAS 00620053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620053?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.