5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate
TL;DR: 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate (CAS 438231-20-0) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
Also Known As: 5-Ethyl 2-[(3-carboxy-1-oxopropyl)amino]-4-phenyl-5-thiazolecarboxylate, 4-{[5-(ethoxycarbonyl)-4-phenyl-1,3-thiazol-2-yl]amino}-4-oxobutanoic acid, 3-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]propanoic Acid, 4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid, 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 438231-20-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CCC(=O)O)C2=CC=CC=C2 |
| InChIKey | XMVLMFKQNDVPIW-UHFFFAOYSA-N |
Product Overview
5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate (CAS 438231-20-0), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: 4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate
Property Insights of 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate. Following Lipinski's Rule of Five, 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate has 2 hydrogen bond donor(s) and 7 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-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate?
The CAS number of 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate is 438231-20-0.
What is the molecular formula of 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate?
The molecular formula of 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate is C16H16N2O5S.
What is the molecular weight of 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate?
The molecular weight of 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate is 348.08 g/mol.
Where can I buy 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate?
You can request a quote for 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl 2-((3-carboxy-1-oxopropyl)amino)-4-phenyl-5-thiazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.