BAS 02331827
TL;DR: BAS 02331827 (CAS 354121-70-3) is a chemical compound with molecular formula C15H13F3N4O2S and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione
Also Known As: BAS 02331827, AN-988/14198013, 1,3-dimethyl-8-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione, 1,3-dimethyl-8-sulfanyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione, 1,3-Dimethyl-8-sulfanyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H13F3N4O2S |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 2.16339 |
| Topological Polar Surface Area | 64.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.07114 |
| Heavy Atoms | 25 |
| Complexity | 1150.7538 |
Chemical Identifiers
| CAS Number | 354121-70-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3=CC(=CC=C3)C(F)(F)F |
Product Overview
BAS 02331827 (CAS 354121-70-3), with molecular formula C15H13F3N4O2S and molecular weight 370.07 g/mol. IUPAC: 1,3-dimethyl-8-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione.
Chemical Property Profile of BAS 02331827
Property Insights of BAS 02331827
The XLogP value of 2.16339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02331827. The TPSA of 64.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02331827. Following Lipinski's Rule of Five, BAS 02331827 has 1 hydrogen bond donor(s) and 3 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 02331827?
The CAS number of BAS 02331827 is 354121-70-3.
What is the molecular formula of BAS 02331827?
The molecular formula of BAS 02331827 is C15H13F3N4O2S.
What is the molecular weight of BAS 02331827?
The molecular weight of BAS 02331827 is 370.07 g/mol.
Where can I buy BAS 02331827?
You can request a quote for BAS 02331827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02331827?
Yes, KEHONG BIO provides custom synthesis services for BAS 02331827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.