2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
TL;DR: 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate (CAS 815657-94-4) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
Also Known As: 2-phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate, BAS 12893374, phenethyl 4-oxo-4-(thiazol-2-ylamino)butanoate, VU0510775-1, N-Thiazol-2-yl-succinamic acid phenethyl ester
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.6477 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 569.8694 |
Chemical Identifiers
| CAS Number | 815657-94-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC2=NC=CS2 |
Product Overview
2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate (CAS 815657-94-4), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: 2-phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate.
Chemical Property Profile of 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
Property Insights of 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
The XLogP value of 2.6477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate. Following Lipinski's Rule of Five, 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)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 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
The CAS number of 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate is 815657-94-4.
What is the molecular formula of 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
The molecular formula of 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate is C15H16N2O3S.
What is the molecular weight of 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
The molecular weight of 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate is 304.09 g/mol.
Where can I buy 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
You can request a quote for 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.