(S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate
TL;DR: (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 1173685-85-2) is a chemical compound with molecular formula C21H26N4O5S and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(1S)-2-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate, ethyl ({5-[(1S)-1-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate, ethyl 2-[[5-[(1S)-2-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
| Molecular Formula | C21H26N4O5S |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 4.0146 |
| Topological Polar Surface Area | 119.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.16238 |
| Heavy Atoms | 31 |
| Complexity | 1039.7462 |
Chemical Identifiers
| CAS Number | 1173685-85-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(O1)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C |
Product Overview
(S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate (CAS 1173685-85-2), with molecular formula C21H26N4O5S and molecular weight 446.16 g/mol. IUPAC: ethyl 2-[[5-[(1S)-2-(1H-indol-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate
Property Insights of (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate
The XLogP value of 4.0146 indicates that (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate has 2 hydrogen bond donor(s) and 8 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 (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The CAS number of (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 1173685-85-2.
What is the molecular formula of (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular formula of (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate is C21H26N4O5S.
What is the molecular weight of (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
The molecular weight of (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate is 446.16 g/mol.
Where can I buy (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
You can request a quote for (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 2-((5-(1-((tert-butoxycarbonyl)amino)-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.