![2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide structure](/static/products/4403/440325-27-9.webp)
2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide (CAS 440325-27-9) is a chemical compound with molecular formula C21H13ClF3N3O2S2 and molecular weight 495.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, F6609-2301, 2-[3-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, 2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C21H13ClF3N3O2S2 |
|---|---|
| Molecular Weight | 495.01 g/mol |
| LogP | 5.8502 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.00897 |
| Heavy Atoms | 32 |
| Complexity | 1351.1565 |
Chemical Identifiers
| CAS Number | 440325-27-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)SC=C3 |
Product Overview
2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide (CAS 440325-27-9), with molecular formula C21H13ClF3N3O2S2 and molecular weight 495.01 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
The XLogP value of 5.8502 indicates that 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide is 440325-27-9.
What is the molecular formula of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide is C21H13ClF3N3O2S2.
What is the molecular weight of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide is 495.01 g/mol.
Where can I buy 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.