![3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride structure](/static/products/809/80936-63-6.png)
3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
TL;DR: 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride (CAS 80936-63-6) is a chemical compound with molecular formula C27H25FN4O6S and molecular weight 552.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
Also Known As: 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride, 3-({[3-({5-[(3-Ethoxyphenyl)methyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)phenyl]carbamoyl}amino)benzene-1-sulfonyl fluoride
| Molecular Formula | C27H25FN4O6S |
|---|---|
| Molecular Weight | 552.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 552.1479 |
| Heavy Atoms | 39 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 80936-63-6 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)CC2=CN(C(=O)NC2=O)CC3=CC(=CC=C3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F |
| InChIKey | LFEGKRHVJAPKMC-UHFFFAOYSA-N |
Product Overview
3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride (CAS 80936-63-6), with molecular formula C27H25FN4O6S and molecular weight 552.15 g/mol. IUPAC: 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride.
Chemical Property Profile of 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
Property Insights of 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
The XLogP value of 3.3 indicates that 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride?
The CAS number of 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride is 80936-63-6.
What is the molecular formula of 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride?
The molecular formula of 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride is C27H25FN4O6S.
What is the molecular weight of 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride?
The molecular weight of 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride is 552.15 g/mol.
Where can I buy 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride?
You can request a quote for 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-[[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.