(S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1173674-91-3) is a chemical compound with molecular formula C23H25ClN4O4S and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate, tert-butyl N-[(1S)-1-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
| Molecular Formula | C23H25ClN4O4S |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 5.2623 |
| Topological Polar Surface Area | 106.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.1285 |
| Heavy Atoms | 33 |
| Complexity | 1085.3204 |
Chemical Identifiers
| CAS Number | 1173674-91-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
(S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1173674-91-3), with molecular formula C23H25ClN4O4S and molecular weight 488.13 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
The XLogP value of 5.2623 indicates that (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 1173674-91-3.
What is the molecular formula of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is C23H25ClN4O4S.
What is the molecular weight of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 488.13 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(5-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.