![[3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate structure](/static/products/6020/6020-67-3.webp)
[3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
TL;DR: [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate (CAS 6020-67-3) is a chemical compound with molecular formula C22H22FNO4S2 and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
Also Known As: [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate|3-{[N-(2-Methylpropyl)thiophene-2-carboxamido]methyl}phenyl 4-fluorobenzene-1-sulfonate|N-[[3-(4-fluorophenyl)sulfonyloxyphenyl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide|1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 6.beta.,7.beta.-epoxy-, hydrobromide, trihydrate, (.+.)-|3-{[N-(2-METHYLPROPYL)-1-(THIOPHEN-2-YL)FORMAMIDO]METHYL}PHENYL 4-FLUOROBENZENE-1-SULFONATE|Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, trihydrate, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-(.+.)-
| Molecular Formula | C22H22FNO4S2 |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 4.9533 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.09744 |
| Heavy Atoms | 30 |
| Complexity | 1094.4309 |
Chemical Identifiers
| CAS Number | 6020-67-3 |
|---|---|
| SMILES | CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CS3 |
Product Overview
[3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate (CAS 6020-67-3), with molecular formula C22H22FNO4S2 and molecular weight 447.10 g/mol. IUPAC: [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate.
Chemical Property Profile of [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
Property Insights of [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
The XLogP value of 4.9533 indicates that [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate 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 [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate. Following Lipinski's Rule of Five, [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate has 0 hydrogen bond donor(s) and 5 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 [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate?
The CAS number of [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate is 6020-67-3.
What is the molecular formula of [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate?
The molecular formula of [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate is C22H22FNO4S2.
What is the molecular weight of [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate?
The molecular weight of [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate is 447.10 g/mol.
Where can I buy [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate?
You can request a quote for [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate 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(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [3-[[2-methylpropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.