![N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide structure](/static/products/3157/315710-73-7.webp)
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
TL;DR: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CAS 315710-73-7) is a chemical compound with molecular formula C22H19ClF3N3O2S2 and molecular weight 513.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, AF-399/15335083, 2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentah ydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
| Molecular Formula | C22H19ClF3N3O2S2 |
|---|---|
| Molecular Weight | 513.06 g/mol |
| LogP | 5.9258 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.0559 |
| Heavy Atoms | 33 |
| Complexity | 1300.7488 |
Chemical Identifiers
| CAS Number | 315710-73-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)SC4=C2CCCC4 |
Product Overview
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CAS 315710-73-7), with molecular formula C22H19ClF3N3O2S2 and molecular weight 513.06 g/mol. IUPAC: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Property Insights of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
The XLogP value of 5.9258 indicates that N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]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 N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]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 N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The CAS number of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is 315710-73-7.
What is the molecular formula of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The molecular formula of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is C22H19ClF3N3O2S2.
What is the molecular weight of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The molecular weight of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is 513.06 g/mol.
Where can I buy N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
You can request a quote for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.