![4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate structure](/static/products/5912/5912-85-6.webp)
4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
TL;DR: 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate (CAS 5912-85-6) is a chemical compound with molecular formula C25H23F2NO4S and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
Also Known As: 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate, [4-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate, 4-({N-[(4-Fluorophenyl)methyl]cyclobutanecarboxamido}methyl)phenyl 4-fluorobenzene-1-sulfonate, N-[(4-fluorophenyl)methyl]-N-[[4-(4-fluorophenyl)sulfonyloxyphenyl]methyl]cyclobutanecarboxamide
| Molecular Formula | C25H23F2NO4S |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 5.0614 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.1316 |
| Heavy Atoms | 33 |
| Complexity | 1206.7716 |
Chemical Identifiers
| CAS Number | 5912-85-6 |
|---|---|
| SMILES | C1CC(C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)F |
Product Overview
4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate (CAS 5912-85-6), with molecular formula C25H23F2NO4S and molecular weight 471.13 g/mol. IUPAC: [4-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate.
Chemical Property Profile of 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
Property Insights of 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
The XLogP value of 5.0614 indicates that 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]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-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate has 0 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 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate?
The CAS number of 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate is 5912-85-6.
What is the molecular formula of 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate?
The molecular formula of 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate is C25H23F2NO4S.
What is the molecular weight of 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate?
The molecular weight of 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate is 471.13 g/mol.
Where can I buy 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate?
You can request a quote for 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]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-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-({(Cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-fluorobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.