(S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 1173673-01-2) is a chemical compound with molecular formula C18H23ClN4O6S and molecular weight 458.10 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-chloro-2-methylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl N-[(1S)-1-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
| Molecular Formula | C18H23ClN4O6S |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 3.02952 |
| Topological Polar Surface Area | 140.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1027 |
| Heavy Atoms | 30 |
| Complexity | 1045.1863 |
Chemical Identifiers
| CAS Number | 1173673-01-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CS(=O)(=O)C2=NN=C(O2)[C@H](C)NC(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 1173673-01-2), with molecular formula C18H23ClN4O6S and molecular weight 458.10 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfonyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 3.02952 indicates that (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.49 Ų indicates high polarity, suggesting (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate 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)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 1173673-01-2.
What is the molecular formula of (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C18H23ClN4O6S.
What is the molecular weight of (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 458.10 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)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-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.