3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one
TL;DR: 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one (CAS 84003-14-5) is a chemical compound with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1H-indol-2-one
Also Known As: 3-hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1H-indol-2-one, 3-hydroxy-3-(3-methyl-2-oxo-butyl)-5-nitro-1H-indol-2-one, 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one
| Molecular Formula | C13H14N2O5 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.09027 |
| Heavy Atoms | 20 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 84003-14-5 |
|---|---|
| SMILES | CC(C)C(=O)CC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O)O |
| InChIKey | YLCZXXUUMSAFRI-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one (CAS 84003-14-5), with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol. IUPAC: 3-hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1H-indol-2-one.
Chemical Property Profile of 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one
Property Insights of 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one has 2 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-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one?
The CAS number of 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one is 84003-14-5.
What is the molecular formula of 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one?
The molecular formula of 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one is C13H14N2O5.
What is the molecular weight of 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one?
The molecular weight of 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one is 278.09 g/mol.
Where can I buy 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one?
You can request a quote for 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-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-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-(3-methyl-2-oxobutyl)-5-nitro-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.