![2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate structure](/static/products/7235/7235-03-2.webp)
2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate
TL;DR: 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate (CAS 7235-03-2) is a chemical compound with molecular formula C36H33F3N2O6S and molecular weight 678.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[benzyl-[2-(1-benzyl-3,3-dimethyl-2-oxoindol-7-yl)-4-methoxybut-2-enoyl]amino]phenyl] trifluoromethanesulfonate
Also Known As: 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate, [2-[benzyl-[2-(1-benzyl-3,3-dimethyl-2-oxoindol-7-yl)-4-methoxybut-2-enoyl]amino]phenyl] trifluoromethanesulfonate, 2-[N-Benzyl-2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enamido]phenyl trifluoromethanesulfonate
| Molecular Formula | C36H33F3N2O6S |
|---|---|
| Molecular Weight | 678.20 g/mol |
| LogP | 7.0026 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 678.2012 |
| Heavy Atoms | 48 |
| Complexity | 1945.4899 |
Chemical Identifiers
| CAS Number | 7235-03-2 |
|---|---|
| SMILES | CC1(C2=CC=CC(=C2N(C1=O)CC3=CC=CC=C3)C(=CCOC)C(=O)N(CC4=CC=CC=C4)C5=CC=CC=C5OS(=O)(=O)C(F)(F)F)C |
Product Overview
2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate (CAS 7235-03-2), with molecular formula C36H33F3N2O6S and molecular weight 678.20 g/mol. IUPAC: [2-[benzyl-[2-(1-benzyl-3,3-dimethyl-2-oxoindol-7-yl)-4-methoxybut-2-enoyl]amino]phenyl] trifluoromethanesulfonate.
Chemical Property Profile of 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate
Property Insights of 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate
The XLogP value of 7.0026 indicates that 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate. Following Lipinski's Rule of Five, 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate?
The CAS number of 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate is 7235-03-2.
What is the molecular formula of 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate?
The molecular formula of 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate is C36H33F3N2O6S.
What is the molecular weight of 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate?
The molecular weight of 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate is 678.20 g/mol.
Where can I buy 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate?
You can request a quote for 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-{Benzyl[2-(1-benzyl-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-7-yl)-4-methoxybut-2-enoyl]amino}phenyl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.