![N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide structure](/static/products/5855/585561-41-7.webp)
N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide
TL;DR: N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide (CAS 585561-41-7) is a chemical compound with molecular formula C17H15F2N3O2S2 and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide, N-(2,4-difluorophenyl)-2-((3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(2,4-difluorophenyl)-2-({3,5,6-trimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamide, N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide, N-(2,4-difluorophenyl)-2-[(3,5,6-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C17H15F2N3O2S2 |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 3.62084 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.05737 |
| Heavy Atoms | 26 |
| Complexity | 1076.0358 |
Chemical Identifiers
| CAS Number | 585561-41-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)F)F)C)C |
Product Overview
N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide (CAS 585561-41-7), with molecular formula C17H15F2N3O2S2 and molecular weight 395.06 g/mol. IUPAC: N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide
Property Insights of N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide
The XLogP value of 3.62084 indicates that N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))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-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide. Following Lipinski's Rule of Five, N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide has 1 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 N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide?
The CAS number of N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide is 585561-41-7.
What is the molecular formula of N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide?
The molecular formula of N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide is C17H15F2N3O2S2.
What is the molecular weight of N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide?
The molecular weight of N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide is 395.06 g/mol.
Where can I buy N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide?
You can request a quote for N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-difluorophenyl)-2-(3,5,6-trimethyl-4-oxo(3-hydrothiopheno[2,3-d]pyrimid in-2-ylthio))acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.