1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-
TL;DR: 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)- (CAS 120729-94-4) is a chemical compound with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid
Also Known As: 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid, 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-, 5-(N,N-Diethylsulfamoyl)-1H-indole-3-carboxylic acid, 5-((Diethylamino)sulfonyl)-1H-indole-3-carboxylic acid, 1H-Indole-3-carboxylicacid, 5-[(diethylamino)sulfonyl]-
| Molecular Formula | C13H16N2O4S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.08307 |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 120729-94-4 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C2C(=O)O |
| InChIKey | VUTQTXIJKGTCHG-UHFFFAOYSA-N |
Product Overview
1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)- (CAS 120729-94-4), with molecular formula C13H16N2O4S and molecular weight 296.08 g/mol. IUPAC: 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid.
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-
Property Insights of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)- 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 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-?
The CAS number of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)- is 120729-94-4.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-?
The molecular formula of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)- is C13H16N2O4S.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-?
The molecular weight of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)- is 296.08 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-?
You can request a quote for 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)- 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-carboxylic acid, 5-((diethylamino)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.