BAS 08333538
TL;DR: BAS 08333538 (CAS 797775-57-6) is a chemical compound with molecular formula C18H15ClN6O2S and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione
Also Known As: BAS 08333538, 7-(4-chlorobenzyl)-1,3-dimethyl-8-(pyrimidin-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, 7-(4-chlorobenzyl)-1,3-dimethyl-8-(pyrimidin-2-ylthio)-1H-purine-2,6(3H,7H)-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylthio-1,3,7-trihydropur ine-2,6-dione
| Molecular Formula | C18H15ClN6O2S |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 2.0766 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.06656 |
| Heavy Atoms | 28 |
| Complexity | 1278.1627 |
Chemical Identifiers
| CAS Number | 797775-57-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC=CC=N3)CC4=CC=C(C=C4)Cl |
Product Overview
BAS 08333538 (CAS 797775-57-6), with molecular formula C18H15ClN6O2S and molecular weight 414.07 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione.
Chemical Property Profile of BAS 08333538
Property Insights of BAS 08333538
The XLogP value of 2.0766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08333538. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08333538. Following Lipinski's Rule of Five, BAS 08333538 has 0 hydrogen bond donor(s) and 6 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 08333538?
The CAS number of BAS 08333538 is 797775-57-6.
What is the molecular formula of BAS 08333538?
The molecular formula of BAS 08333538 is C18H15ClN6O2S.
What is the molecular weight of BAS 08333538?
The molecular weight of BAS 08333538 is 414.07 g/mol.
Where can I buy BAS 08333538?
You can request a quote for BAS 08333538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08333538?
Yes, KEHONG BIO provides custom synthesis services for BAS 08333538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.