![2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one structure](/static/products/9141/91410-83-2.webp)
2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
TL;DR: 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one (CAS 91410-83-2) is a chemical compound with molecular formula C14H16N2OS and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
Also Known As: monozirconium(III) monoxide, 2-(4-methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one, 2-(4-methylphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one, Imidazo(1,5-a)pyridin-1(5H)-one, hexahydro-2-(4-methylphenyl)-3-thioxo-, 8-(4-methylphenyl)-9-sulfanylidene-1,8-diazabicyclo[4.3.0]nonan-7-one
| Molecular Formula | C14H16N2OS |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.09833 |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 91410-83-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3CCCCN3C2=S |
| InChIKey | XWTAYTJUTPWHLI-UHFFFAOYSA-N |
Product Overview
2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one (CAS 91410-83-2), with molecular formula C14H16N2OS and molecular weight 260.10 g/mol. IUPAC: 2-(4-methylphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one.
Chemical Property Profile of 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
Property Insights of 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one. With a topological polar surface area (TPSA) of 55.6 Ų, 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one has 0 hydrogen bond donor(s) and 2 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 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one?
The CAS number of 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one is 91410-83-2.
What is the molecular formula of 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one?
The molecular formula of 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one is C14H16N2OS.
What is the molecular weight of 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one?
The molecular weight of 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one is 260.10 g/mol.
Where can I buy 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one?
You can request a quote for 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.