![4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate structure](/static/products/5962/5962-65-2.webp)
4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
TL;DR: 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate (CAS 5962-65-2) is a chemical compound with molecular formula C21H24FNO4S and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
Also Known As: 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate, [4-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate, 4-{[N-(Butan-2-yl)cyclopropanecarboxamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
| Molecular Formula | C21H24FNO4S |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 4.1305 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.14102 |
| Heavy Atoms | 28 |
| Complexity | 921.8829 |
Chemical Identifiers
| CAS Number | 5962-65-2 |
|---|---|
| SMILES | CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CC3 |
Product Overview
4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate (CAS 5962-65-2), with molecular formula C21H24FNO4S and molecular weight 405.14 g/mol. IUPAC: [4-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate.
Chemical Property Profile of 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Property Insights of 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
The XLogP value of 4.1305 indicates that 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate has 0 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 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate?
The CAS number of 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate is 5962-65-2.
What is the molecular formula of 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate?
The molecular formula of 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate is C21H24FNO4S.
What is the molecular weight of 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate?
The molecular weight of 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate is 405.14 g/mol.
Where can I buy 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate?
You can request a quote for 4-{[(Butan-2-yl)(cyclopropanecarbonyl)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 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(Butan-2-yl)(cyclopropanecarbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.