1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde
TL;DR: 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde (CAS 886499-30-5) is a chemical compound with molecular formula C16H12N2O5S and molecular weight 344.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methyl-3-nitrophenyl)sulfonylindole-3-carbaldehyde
Also Known As: 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde, 1-(4-methyl-3-nitrobenzenesulfonyl)-1H-indole-3-carbaldehyde, 1-(4-methyl-3-nitrophenyl)sulfonylindole-3-carbaldehyde, 1-(4-Methyl-3-nitro-benzenesulfonyl)-1H-indole-3-carbaldehyde, 1-(4-METHYL-3-NITRO-BENZENESULFONYL)-1 H -INDOLE-3-CARBALDEHYDE
| Molecular Formula | C16H12N2O5S |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 2.90742 |
| Topological Polar Surface Area | 99.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0467 |
| Heavy Atoms | 24 |
| Complexity | 1083.0409 |
Chemical Identifiers
| CAS Number | 886499-30-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O)[N+](=O)[O-] |
Product Overview
1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde (CAS 886499-30-5), with molecular formula C16H12N2O5S and molecular weight 344.05 g/mol. IUPAC: 1-(4-methyl-3-nitrophenyl)sulfonylindole-3-carbaldehyde.
Chemical Property Profile of 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde
Property Insights of 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde
The XLogP value of 2.90742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde. The TPSA of 99.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde. Following Lipinski's Rule of Five, 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde has 0 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 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde?
The CAS number of 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde is 886499-30-5.
What is the molecular formula of 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde?
The molecular formula of 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde is C16H12N2O5S.
What is the molecular weight of 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde?
The molecular weight of 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde is 344.05 g/mol.
Where can I buy 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde?
You can request a quote for 1-((4-Methyl-3-nitrophenyl)sulfonyl)-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 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Methyl-3-nitrophenyl)sulfonyl)-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.