![[3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate structure](/static/products/6020/6020-06-0.webp)
[3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
TL;DR: [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate (CAS 6020-06-0) is a chemical compound with molecular formula C21H23ClF3NO4S and molecular weight 477.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
Also Known As: [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate|3-{[N-(Butan-2-yl)-2-chloropropanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate|N-butan-2-yl-2-chloro-N-[[3-[3-(trifluoromethyl)phenyl]sulfonyloxyphenyl]methyl]propanamide
| Molecular Formula | C21H23ClF3NO4S |
|---|---|
| Molecular Weight | 477.10 g/mol |
| LogP | 5.2275 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.09885 |
| Heavy Atoms | 31 |
| Complexity | 1025.28 |
Chemical Identifiers
| CAS Number | 6020-06-0 |
|---|---|
| SMILES | CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C(C)Cl |
Product Overview
[3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate (CAS 6020-06-0), with molecular formula C21H23ClF3NO4S and molecular weight 477.10 g/mol. IUPAC: [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate.
Chemical Property Profile of [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
Property Insights of [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
The XLogP value of 5.2275 indicates that [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate 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-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate. Following Lipinski's Rule of Five, [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate 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 [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate?
The CAS number of [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate is 6020-06-0.
What is the molecular formula of [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate?
The molecular formula of [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate is C21H23ClF3NO4S.
What is the molecular weight of [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate?
The molecular weight of [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate is 477.10 g/mol.
Where can I buy [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate?
You can request a quote for [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [3-[[butan-2-yl(2-chloropropanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.