1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde
TL;DR: 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde (CAS 3558-15-4) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-5-nitroindole-3-carbaldehyde
Also Known As: 1,2-dimethyl-3-formyl-5-nitroindole, 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde, 1,2-dimethyl-5-nitroindole-3-carbaldehyde, 1,2-Dimethyl-5-nitro-1H-indole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde, 1,2-dimethyl-5-nitro-
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 2.20742 |
| Topological Polar Surface Area | 65.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 598.78577 |
Chemical Identifiers
| CAS Number | 3558-15-4 |
|---|---|
| SMILES | CC1=C(C2=C(N1C)C=CC(=C2)[N+](=O)[O-])C=O |
Product Overview
1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde (CAS 3558-15-4), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: 1,2-dimethyl-5-nitroindole-3-carbaldehyde.
Chemical Property Profile of 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde
Property Insights of 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde
The XLogP value of 2.20742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde. The TPSA of 65.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde. Following Lipinski's Rule of Five, 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde has 0 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 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde?
The CAS number of 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde is 3558-15-4.
What is the molecular formula of 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde?
The molecular formula of 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde is C11H10N2O3.
What is the molecular weight of 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde?
The molecular weight of 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde is 218.07 g/mol.
Where can I buy 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde?
You can request a quote for 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-5-nitro-1H-indole-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.