(S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate (CAS 1173667-07-6) is a chemical compound with molecular formula C21H27N5O4S and molecular weight 445.18 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-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate, tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
| Molecular Formula | C21H27N5O4S |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.17838 |
| Heavy Atoms | 31 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 1173667-07-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C3=NN=C(O3)SCC(=O)N(C)C |
| InChIKey | BODLXOCESVMLAZ-INIZCTEOSA-N |
Product Overview
(S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate (CAS 1173667-07-6), with molecular formula C21H27N5O4S and molecular weight 445.18 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate has 2 hydrogen bond donor(s) and 7 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-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate is 1173667-07-6.
What is the molecular formula of (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate is C21H27N5O4S.
What is the molecular weight of (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate is 445.18 g/mol.
Where can I buy (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-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-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(5-((2-(dimethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.