![N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide structure](/static/products/7542/754204-21-2.webp)
N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide
TL;DR: N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide (CAS 754204-21-2) is a chemical compound with molecular formula C22H20FN3O3S2 and molecular weight 457.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluoro-4-methylphenyl)-2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
Also Known As: N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide, N-(3-fluoro-4-methylphenyl)-2-((3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(3-fluoro-4-methylphenyl)-2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide, N-(3-fluoro-4-methylphenyl)-2-{[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(3-fluoro-4-methylphenyl)-2-{[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C22H20FN3O3S2 |
|---|---|
| Molecular Weight | 457.09 g/mol |
| LogP | 4.89446 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.09302 |
| Heavy Atoms | 31 |
| Complexity | 1326.2684 |
Chemical Identifiers
| CAS Number | 754204-21-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC4=CC=CO4)F |
Product Overview
N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide (CAS 754204-21-2), with molecular formula C22H20FN3O3S2 and molecular weight 457.09 g/mol. IUPAC: N-(3-fluoro-4-methylphenyl)-2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide
Property Insights of N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide
The XLogP value of 4.89446 indicates that N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide. Following Lipinski's Rule of Five, N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide has 1 hydrogen bond donor(s) and 6 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-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide?
The CAS number of N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide is 754204-21-2.
What is the molecular formula of N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide?
The molecular formula of N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide is C22H20FN3O3S2.
What is the molecular weight of N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide?
The molecular weight of N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide is 457.09 g/mol.
Where can I buy N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide?
You can request a quote for N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-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-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-fluoro-4-methylphenyl)-2-[3-(2-furylmethyl)-5,6-dimethyl-4-oxo(3-hydrothi opheno[2,3-d]pyrimidin-2-ylthio)]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.