1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro-
TL;DR: 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro- (CAS 590349-79-4) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-nitro-1H-indole-3-carbaldehyde
Also Known As: 2-tert-butyl-5-nitro-1H-indole-3-carbaldehyde, 5-nitro-2-tert-butyl-1H-indole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro- (9CI), 1H-INDOLE-3-CARBOXALDEHYDE, 2-(1,1-DIMETHYLETHYL)-5-NITRO-
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 3.1861 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 635.45917 |
Chemical Identifiers
| CAS Number | 590349-79-4 |
|---|---|
| SMILES | CC(C)(C)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C=O |
Product Overview
1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro- (CAS 590349-79-4), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 2-tert-butyl-5-nitro-1H-indole-3-carbaldehyde.
Chemical Property Profile of 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro-
Property Insights of 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro-
The XLogP value of 3.1861 indicates that 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro-. Following Lipinski's Rule of Five, 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro- 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 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro-?
The CAS number of 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro- is 590349-79-4.
What is the molecular formula of 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro-?
The molecular formula of 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro- is C13H14N2O3.
What is the molecular weight of 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro-?
The molecular weight of 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro- is 246.10 g/mol.
Where can I buy 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro-?
You can request a quote for 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxaldehyde, 2-(1,1-dimethylethyl)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.