5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid
TL;DR: 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid (CAS 42013-24-1) is a chemical compound with molecular formula C11H17N3O3S and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-(diethylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
Also Known As: 4-ISOTHIAZOLECARBOXYLIC ACID, 5-(2-(DIETHYLAMINO)ACETAMIDO)-3-METHYL-, 5-(2-(Diethylamino)acetamido)-3-methyl-4-isothiazolecarboxylic acid, 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid, 5-[(N,N-diethylglycyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid, 5-[[2-(diethylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
| Molecular Formula | C11H17N3O3S |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.09906 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 42013-24-1 |
|---|---|
| SMILES | CCN(CC)CC(=O)NC1=C(C(=NS1)C)C(=O)O |
| InChIKey | RXBBINZVRXHMLW-UHFFFAOYSA-N |
Product Overview
5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid (CAS 42013-24-1), with molecular formula C11H17N3O3S and molecular weight 271.10 g/mol. IUPAC: 5-[[2-(diethylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
Chemical Property Profile of 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid
Property Insights of 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid
The XLogP value of -0.5 indicates that 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid. Following Lipinski's Rule of Five, 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid has 2 hydrogen bond donor(s) and 6 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 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid?
The CAS number of 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid is 42013-24-1.
What is the molecular formula of 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid?
The molecular formula of 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid is C11H17N3O3S.
What is the molecular weight of 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid?
The molecular weight of 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid is 271.10 g/mol.
Where can I buy 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid?
You can request a quote for 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((2-(Diethylamino)acetyl)amino)-3-methyl-4-isothiazolecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.