(S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
TL;DR: (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate (CAS 1173675-05-2) is a chemical compound with molecular formula C20H27N3O3S and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-2-methyl-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)-2-methylpropyl)carbamate, tert-butyl N-[(1S)-2-methyl-1-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]carbamate
| Molecular Formula | C20H27N3O3S |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 5.0969 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.1773 |
| Heavy Atoms | 27 |
| Complexity | 751.33246 |
Chemical Identifiers
| CAS Number | 1173675-05-2 |
|---|---|
| SMILES | CC(C)[C@@H](C1=NN=C(O1)SC/C=C/C2=CC=CC=C2)NC(=O)OC(C)(C)C |
Product Overview
(S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate (CAS 1173675-05-2), with molecular formula C20H27N3O3S and molecular weight 389.18 g/mol. IUPAC: tert-butyl N-[(1S)-2-methyl-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)-2-methylpropyl)carbamate
Property Insights of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate
The XLogP value of 5.0969 indicates that (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)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)-2-methylpropyl)carbamate. Following Lipinski's Rule of Five, (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate has 1 hydrogen bond donor(s) and 6 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)-2-methylpropyl)carbamate?
The CAS number of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is 1173675-05-2.
What is the molecular formula of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
The molecular formula of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is C20H27N3O3S.
What is the molecular weight of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
The molecular weight of (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate is 389.18 g/mol.
Where can I buy (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate?
You can request a quote for (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)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)-2-methylpropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S,E)-tert-butyl (1-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.