![Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate structure](/static/products/810/81093-58-5.png)
Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate
TL;DR: Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate (CAS 81093-58-5) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate
Also Known As: IFLab1_005717, BAS 02057360, IDI1_011120, Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate, methyl 4-oxo-4-((4-phenylthiazol-2-yl)amino)butanoate
| Molecular Formula | C14H14N2O3S |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.0725 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 81093-58-5 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=NC(=CS1)C2=CC=CC=C2 |
| InChIKey | MQPQAWLQTQMQLD-UHFFFAOYSA-N |
Product Overview
Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate (CAS 81093-58-5), with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol. IUPAC: methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate.
Chemical Property Profile of Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate
Property Insights of Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate. Following Lipinski's Rule of Five, Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate 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 Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate?
The CAS number of Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate is 81093-58-5.
What is the molecular formula of Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate?
The molecular formula of Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate is C14H14N2O3S.
What is the molecular weight of Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate?
The molecular weight of Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate is 290.07 g/mol.
Where can I buy Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate?
You can request a quote for Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.