3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
TL;DR: 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one (CAS 838893-86-0) is a chemical compound with molecular formula C22H25NO3 and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
Also Known As: 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one, 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one, 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)indolin-2-one, 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-[(4-methylphenyl)methyl]indolin-2-one
| Molecular Formula | C22H25NO3 |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 3.73472 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.18344 |
| Heavy Atoms | 26 |
| Complexity | 848.4362 |
Chemical Identifiers
| CAS Number | 838893-86-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C(C)(C)C)O |
Product Overview
3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one (CAS 838893-86-0), with molecular formula C22H25NO3 and molecular weight 351.18 g/mol. IUPAC: 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one.
Chemical Property Profile of 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
Property Insights of 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
The XLogP value of 3.73472 indicates that 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one has 1 hydrogen bond donor(s) and 3 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-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one?
The CAS number of 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one is 838893-86-0.
What is the molecular formula of 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one?
The molecular formula of 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one is C22H25NO3.
What is the molecular weight of 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one?
The molecular weight of 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one is 351.18 g/mol.
Where can I buy 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one?
You can request a quote for 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.