(E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
TL;DR: (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate (CAS 577762-80-2) is a chemical compound with molecular formula C21H29N3O3S and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[5-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate
Also Known As: (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate, tert-butyl [5-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)pentyl]carbamate, tert-butyl N-[5-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate
| Molecular Formula | C21H29N3O3S |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 5.1126 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 403.19296 |
| Heavy Atoms | 28 |
| Complexity | 738.8541 |
Chemical Identifiers
| CAS Number | 577762-80-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCCCCC1=NN=C(O1)SC/C=C/C2=CC=CC=C2 |
Product Overview
(E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate (CAS 577762-80-2), with molecular formula C21H29N3O3S and molecular weight 403.19 g/mol. IUPAC: tert-butyl N-[5-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate.
Chemical Property Profile of (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
Property Insights of (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
The XLogP value of 5.1126 indicates that (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)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 (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate. Following Lipinski's Rule of Five, (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)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 (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The CAS number of (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is 577762-80-2.
What is the molecular formula of (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The molecular formula of (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is C21H29N3O3S.
What is the molecular weight of (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The molecular weight of (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is 403.19 g/mol.
Where can I buy (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
You can request a quote for (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (E)-tert-butyl (5-(5-(cinnamylthio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.