![3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate structure](/static/products/6021/6021-89-2.webp)
3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
TL;DR: 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate (CAS 6021-89-2) is a chemical compound with molecular formula C25H24F4N2O4S and molecular weight 524.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
Also Known As: 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate, [3-[[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
| Molecular Formula | C25H24F4N2O4S |
|---|---|
| Molecular Weight | 524.14 g/mol |
| LogP | 6.3023 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.1393 |
| Heavy Atoms | 36 |
| Complexity | 1310.1345 |
Chemical Identifiers
| CAS Number | 6021-89-2 |
|---|---|
| SMILES | CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate (CAS 6021-89-2), with molecular formula C25H24F4N2O4S and molecular weight 524.14 g/mol. IUPAC: [3-[[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate.
Chemical Property Profile of 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Property Insights of 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
The XLogP value of 6.3023 indicates that 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate. Following Lipinski's Rule of Five, 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate?
The CAS number of 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate is 6021-89-2.
What is the molecular formula of 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate?
The molecular formula of 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate is C25H24F4N2O4S.
What is the molecular weight of 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate?
The molecular weight of 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate is 524.14 g/mol.
Where can I buy 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate?
You can request a quote for 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2-Methylpropyl){[2-(trifluoromethyl)phenyl]carbamoyl}amino]methyl}phenyl 4-fluorobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.