![4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride structure](/static/products/7656/76563-09-2.webp)
4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride
TL;DR: 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride (CAS 76563-09-2) is a chemical compound with molecular formula C18H20FN3O7S and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride
Also Known As: 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride, 5-Methyl-1-{2,5,6-trideoxy-6-[4-(fluorosulfonyl)benzamido]hexofuranosyl}pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C18H20FN3O7S |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.1006 |
| Heavy Atoms | 30 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 76563-09-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)F)O |
| InChIKey | OJGWYODCQIMIGF-UHFFFAOYSA-N |
Product Overview
4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride (CAS 76563-09-2), with molecular formula C18H20FN3O7S and molecular weight 441.10 g/mol. IUPAC: 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride.
Chemical Property Profile of 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride
Property Insights of 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride. The TPSA of 150.0 Ų indicates high polarity, suggesting 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride has 3 hydrogen bond donor(s) and 8 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-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride?
The CAS number of 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride is 76563-09-2.
What is the molecular formula of 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride?
The molecular formula of 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride is C18H20FN3O7S.
What is the molecular weight of 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride?
The molecular weight of 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride is 441.10 g/mol.
Where can I buy 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride?
You can request a quote for 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylcarbamoyl]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.