(S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
TL;DR: (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate (CAS 1173672-84-8) is a chemical compound with molecular formula C20H27N3O3S2 and molecular weight 421.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-3-methylsulfanyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]carbamate
Also Known As: (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate, tert-butyl N-[(1S)-3-methylsulfanyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]carbamate
| Molecular Formula | C20H27N3O3S2 |
|---|---|
| Molecular Weight | 421.15 g/mol |
| LogP | 5.194 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.14938 |
| Heavy Atoms | 28 |
| Complexity | 757.55646 |
Chemical Identifiers
| CAS Number | 1173672-84-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCSC)C1=NN=C(O1)SC/C=C/C2=CC=CC=C2 |
Product Overview
(S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate (CAS 1173672-84-8), with molecular formula C20H27N3O3S2 and molecular weight 421.15 g/mol. IUPAC: tert-butyl N-[(1S)-3-methylsulfanyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]carbamate.
Chemical Property Profile of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
Property Insights of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate
The XLogP value of 5.194 indicates that (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate. Following Lipinski's Rule of Five, (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate has 1 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,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The CAS number of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is 1173672-84-8.
What is the molecular formula of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The molecular formula of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is C20H27N3O3S2.
What is the molecular weight of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
The molecular weight of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate is 421.15 g/mol.
Where can I buy (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
You can request a quote for (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.