![5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester structure](/static/products/3328/332884-02-3.webp)
5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester
TL;DR: 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester (CAS 332884-02-3) is a chemical compound with molecular formula C14H16N4O3S and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 5-(phenylcarbamoylamino)thiadiazole-4-carboxylate
Also Known As: BAS 02081010, 2-methylpropyl 5-(phenylcarbamoylamino)thiadiazole-4-carboxylate, 2-methylpropyl 5-[(phenylcarbamoyl)amino]-1,2,3-thiadiazole-4-carboxylate, 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester, Isobutyl 5-(3-phenylureido)-1,2,3-thiadiazole-4-carboxylate
| Molecular Formula | C14H16N4O3S |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.0943 |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 332884-02-3 |
|---|---|
| SMILES | CC(C)COC(=O)C1=C(SN=N1)NC(=O)NC2=CC=CC=C2 |
| InChIKey | MDXQCFYAKGRJOT-UHFFFAOYSA-N |
Product Overview
5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester (CAS 332884-02-3), with molecular formula C14H16N4O3S and molecular weight 320.09 g/mol. IUPAC: 2-methylpropyl 5-(phenylcarbamoylamino)thiadiazole-4-carboxylate.
Chemical Property Profile of 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester
Property Insights of 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester
The XLogP value of 3.4 indicates that 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester. Following Lipinski's Rule of Five, 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester 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-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester?
The CAS number of 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester is 332884-02-3.
What is the molecular formula of 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester?
The molecular formula of 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester is C14H16N4O3S.
What is the molecular weight of 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester?
The molecular weight of 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester is 320.09 g/mol.
Where can I buy 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester?
You can request a quote for 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Phenyl-ureido)-[1,2,3]thiadiazole-4-carboxylic acid isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.