BAS 11215957
TL;DR: BAS 11215957 (CAS 774561-83-0) is a chemical compound with molecular formula C15H14N4OS and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
Also Known As: BAS 11215957, 2-(benzylthio)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one, 2-(benzylsulfanyl)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one, 2-(benzylsulfanyl)-6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-ol, 2-(benzylthio)-6,7-dihydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8(5H)-one
| Molecular Formula | C15H14N4OS |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.08884 |
| Heavy Atoms | 21 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 774561-83-0 |
|---|---|
| SMILES | C1CC2=C(C1)N=C3N=C(NN3C2=O)SCC4=CC=CC=C4 |
| InChIKey | IKCUGOUCQZECPJ-UHFFFAOYSA-N |
Product Overview
BAS 11215957 (CAS 774561-83-0), with molecular formula C15H14N4OS and molecular weight 298.09 g/mol. IUPAC: 11-benzylsulfanyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
Chemical Property Profile of BAS 11215957
Property Insights of BAS 11215957
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11215957. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11215957. Following Lipinski's Rule of Five, BAS 11215957 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 11215957?
The CAS number of BAS 11215957 is 774561-83-0.
What is the molecular formula of BAS 11215957?
The molecular formula of BAS 11215957 is C15H14N4OS.
What is the molecular weight of BAS 11215957?
The molecular weight of BAS 11215957 is 298.09 g/mol.
Where can I buy BAS 11215957?
You can request a quote for BAS 11215957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11215957?
Yes, KEHONG BIO provides custom synthesis services for BAS 11215957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.