Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 312922-31-9) is a chemical compound with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv1_017418, ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, ZERO/008117, ethyl 4-amino-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate, Ethyl 4-amino-3-phenethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
| Molecular Formula | C14H16N2O2S2 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.0653 |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 312922-31-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)CCC2=CC=CC=C2)N |
| InChIKey | PZHFNAKDIHPYEW-UHFFFAOYSA-N |
Product Overview
Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 312922-31-9), with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol. IUPAC: ethyl 4-amino-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
The XLogP value of 3.5 indicates that Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate 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 Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 312922-31-9.
What is the molecular formula of Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is C14H16N2O2S2.
What is the molecular weight of Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 308.07 g/mol.
Where can I buy Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-3-(2-phenylethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.