![3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one structure](/static/products/6640/6640-45-5.webp)
3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one
TL;DR: 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one (CAS 6640-45-5) is a chemical compound with molecular formula C14H13F3N2OS and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
Also Known As: 3-thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one, AI-204/12577009, 3-Thioxo-2-(3-(trifluoromethyl)phenyl)hexahydroimidazo[1,5-a]pyridin-1(5H)-one, 3-Sulfanylidene-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5H)-one, 3-thioxo-2-(3-trifluoromethyl-phenyl)-hexahydro-imidazo[1,5-a]pyridin-1-one
| Molecular Formula | C14H13F3N2OS |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.07007 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 6640-45-5 |
|---|---|
| SMILES | C1CCN2C(C1)C(=O)N(C2=S)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | HVSSGGGPXWLUJK-UHFFFAOYSA-N |
Product Overview
3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one (CAS 6640-45-5), with molecular formula C14H13F3N2OS and molecular weight 314.07 g/mol. IUPAC: 3-sulfanylidene-2-[3-(trifluoromethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one.
Chemical Property Profile of 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one
Property Insights of 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one
The XLogP value of 3.2 indicates that 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one has 0 hydrogen bond donor(s) and 5 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 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one?
The CAS number of 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one is 6640-45-5.
What is the molecular formula of 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one?
The molecular formula of 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one is C14H13F3N2OS.
What is the molecular weight of 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one?
The molecular weight of 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one is 314.07 g/mol.
Where can I buy 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one?
You can request a quote for 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[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 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Thioxo-2-[3-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyridin-1(5h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.