![1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one structure](/static/products/158/158812-26-1.webp)
1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one
TL;DR: 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one (CAS 158812-26-1) is a chemical compound with molecular formula C17H15N5OS2 and molecular weight 369.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-methyl-7-phenyl-3-sulfanylidene-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),5,10(15)-trien-8-one
Also Known As: 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one, 1-mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 8-methyl-4-phenyl-1-thioxo-2,4,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, REGID_for_CID_1384263
Technical Specifications
| Molecular Formula | C17H15N5OS2 |
| Molecular Weight | 369.0718 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 369.0718 Da |
| Heavy Atoms | 25 |
| Complexity | 635.0 |
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NNC(=S)N34)C5=CC=CC=C5 |
| InChIKey | HMFCECSOZYWREN-UHFFFAOYSA-N |
Chemical Property Profile of 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one
Property Insights of 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one. Following Lipinski's Rule of Five, 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one 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
What is the CAS number of 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one?
The CAS number of 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one is 158812-26-1.
What is the molecular formula of 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one?
The molecular formula of 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one is C17H15N5OS2.
What is the molecular weight of 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one?
The molecular weight of 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one is 369.0718 g/mol.
Where can I buy 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one?
You can request a quote for 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one?
Yes, CoreyChem provides custom synthesis services for 1-Mercapto-8-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-10-thia-2,3,4,8,10b-pentaaza-cyclopenta[a]fluore n-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.