![4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide structure](/static/products/586/586992-88-3.png)
4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide
TL;DR: 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide (CAS 586992-88-3) is a chemical compound with molecular formula C17H16ClF3N4O5S and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[1-(2-methylpropyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
Also Known As: 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide, 4-Chloro-N-(1-isobutyl-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5 -yl)-benzenesulfonamide, 4-chloro-N-[1-(2-methylpropyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide, 4-chloro-N-[4-hydroxy-1-(2-methylpropyl)-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
| Molecular Formula | C17H16ClF3N4O5S |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 1.5342 |
| Topological Polar Surface Area | 130.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.04822 |
| Heavy Atoms | 31 |
| Complexity | 1268.643 |
Chemical Identifiers
| CAS Number | 586992-88-3 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)NC1=O)C(C(=O)N2)(C(F)(F)F)NS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide (CAS 586992-88-3), with molecular formula C17H16ClF3N4O5S and molecular weight 480.05 g/mol. IUPAC: 4-chloro-N-[1-(2-methylpropyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide.
Chemical Property Profile of 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide
Property Insights of 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide
The XLogP value of 1.5342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide. The TPSA of 130.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide has 3 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 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide?
The CAS number of 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide is 586992-88-3.
What is the molecular formula of 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide?
The molecular formula of 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide is C17H16ClF3N4O5S.
What is the molecular weight of 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide?
The molecular weight of 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide is 480.05 g/mol.
Where can I buy 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide?
You can request a quote for 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(1-isobutyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.