1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl-
TL;DR: 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl- (CAS 120729-97-7) is a chemical compound with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
Also Known As: 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl-, 5-((Diethylamino)sulfonyl)-1-methyl-1H-indole-3-carboxylic acid, 5-(diethylsulfamoyl)-1-methyl-1H-indole-3-carboxylic acid, 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid, 5-(N,N-Diethylsulfamoyl)-1-methyl-1H-indole-3-carboxylic acid
| Molecular Formula | C14H18N2O4S |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.09872 |
| Heavy Atoms | 21 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 120729-97-7 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C2C(=O)O)C |
| InChIKey | ACERAJYCCLKTDM-UHFFFAOYSA-N |
Product Overview
1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl- (CAS 120729-97-7), with molecular formula C14H18N2O4S and molecular weight 310.10 g/mol. IUPAC: 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid.
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl-
Property Insights of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl-. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl-. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl- has 1 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)-1-methyl-?
The CAS number of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl- is 120729-97-7.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl-?
The molecular formula of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl- is C14H18N2O4S.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl-?
The molecular weight of 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl- is 310.10 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl-?
You can request a quote for 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl- 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)-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.