![4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one structure](/static/products/3391/339105-95-2.webp)
4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
TL;DR: 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one (CAS 339105-95-2) is a chemical compound with molecular formula C15H12F3NOS2 and molecular weight 343.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
Also Known As: 8N-379S, 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one, 4-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one, 4-{[3-(trifluoromethyl)phenyl]methyl}-2H,3H,4H,5H-thieno[3,2-f][1,4]thiazepin-5-one
| Molecular Formula | C15H12F3NOS2 |
|---|---|
| Molecular Weight | 343.03 g/mol |
| LogP | 4.515 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.03125 |
| Heavy Atoms | 22 |
| Complexity | 696.0912 |
Chemical Identifiers
| CAS Number | 339105-95-2 |
|---|---|
| SMILES | C1CSC2=C(C=CS2)C(=O)N1CC3=CC(=CC=C3)C(F)(F)F |
Product Overview
4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one (CAS 339105-95-2), with molecular formula C15H12F3NOS2 and molecular weight 343.03 g/mol. IUPAC: 4-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one.
Chemical Property Profile of 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
Property Insights of 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
The XLogP value of 4.515 indicates that 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one has 0 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 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
The CAS number of 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is 339105-95-2.
What is the molecular formula of 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
The molecular formula of 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is C15H12F3NOS2.
What is the molecular weight of 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
The molecular weight of 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is 343.03 g/mol.
Where can I buy 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
You can request a quote for 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(trifluoromethyl)benzyl]-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.