2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde
TL;DR: 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde (CAS 815586-70-0) is a chemical compound with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(dimethylamino)ethenyl]-1-methyl-5-nitroindole-3-carbaldehyde
Also Known As: AB00086068-01, 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde, 2-(2-dimethylaminoethenyl)-1-methyl-5-nitro-indole-3-carbaldehyde, 2-[(1E)-2-(dimethylamino)vinyl]-1-methyl-5-nitroindole-3-carbaldehyde, 2-[(E)-2-(dimethylamino)ethenyl]-1-methyl-5-nitroindole-3-carbaldehyde
| Molecular Formula | C14H15N3O3 |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 2.4313 |
| Topological Polar Surface Area | 68.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.11133 |
| Heavy Atoms | 20 |
| Complexity | 714.0127 |
Chemical Identifiers
| CAS Number | 815586-70-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1/C=C/N(C)C)C=O |
Product Overview
2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde (CAS 815586-70-0), with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol. IUPAC: 2-[(E)-2-(dimethylamino)ethenyl]-1-methyl-5-nitroindole-3-carbaldehyde.
Chemical Property Profile of 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde
Property Insights of 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde
The XLogP value of 2.4313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde. The TPSA of 68.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde. Following Lipinski's Rule of Five, 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde has 0 hydrogen bond donor(s) and 4 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 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde?
The CAS number of 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde is 815586-70-0.
What is the molecular formula of 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde?
The molecular formula of 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde is C14H15N3O3.
What is the molecular weight of 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde?
The molecular weight of 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde is 273.11 g/mol.
Where can I buy 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde?
You can request a quote for 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-((E)-2-(dimethylamino)vinyl)-1-methyl-5-nitro-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.