![N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide structure](/static/products/879/879469-63-3.png)
N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide
TL;DR: N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide (CAS 879469-63-3) is a chemical compound with molecular formula C22H16F4N4O3S and molecular weight 492.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4,6-dioxo-1-(2-phenylethyl)-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide
Also Known As: N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide, N-[4,6-dioxo-1-(2-phenylethyl)-2-sulfanyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide, N-[4,6-dioxo-1-phenethyl-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide
| Molecular Formula | C22H16F4N4O3S |
|---|---|
| Molecular Weight | 492.09 g/mol |
| LogP | 3.42739 |
| Topological Polar Surface Area | 95.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.08792 |
| Heavy Atoms | 34 |
| Complexity | 1384.4891 |
Chemical Identifiers
| CAS Number | 879469-63-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=S)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=C(C=C4)F |
Product Overview
N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide (CAS 879469-63-3), with molecular formula C22H16F4N4O3S and molecular weight 492.09 g/mol. IUPAC: N-[4,6-dioxo-1-(2-phenylethyl)-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide.
Chemical Property Profile of N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide
Property Insights of N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide
The XLogP value of 3.42739 indicates that N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide has 3 hydrogen bond donor(s) and 4 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-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide?
The CAS number of N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide is 879469-63-3.
What is the molecular formula of N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide?
The molecular formula of N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide is C22H16F4N4O3S.
What is the molecular weight of N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide?
The molecular weight of N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide is 492.09 g/mol.
Where can I buy N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide?
You can request a quote for N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,6-dioxo-1-phenethyl-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.