Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)-
TL;DR: Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)- (CAS 120354-29-2) is a chemical compound with molecular formula C17H13F3N2OS and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)-, 5,6,7,8-Tetrahydro-2-(3-(trifluoromethyl)phenyl)benzothieno(2,3-d)pyrimidin-4(1H)-one, 2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[3-(Trifluoromethyl)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, BRN 5995883
| Molecular Formula | C17H13F3N2OS |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 4.5492 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.07007 |
| Heavy Atoms | 24 |
| Complexity | 987.64484 |
Chemical Identifiers
| CAS Number | 120354-29-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC(=CC=C4)C(F)(F)F |
Product Overview
Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)- (CAS 120354-29-2), with molecular formula C17H13F3N2OS and molecular weight 350.07 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)-
Property Insights of Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)-
The XLogP value of 4.5492 indicates that Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)- 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 Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)-?
The CAS number of Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)- is 120354-29-2.
What is the molecular formula of Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)-?
The molecular formula of Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)- is C17H13F3N2OS.
What is the molecular weight of Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)-?
The molecular weight of Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)- is 350.07 g/mol.
Where can I buy Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)-?
You can request a quote for Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(3-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.