tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
TL;DR: tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate (CAS 577983-15-4) is a chemical compound with molecular formula C18H32N4O4S and molecular weight 400.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[5-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate
Also Known As: tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate, tert-butyl [5-(5-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pentyl]carbamate, tert-butyl N-[5-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate
| Molecular Formula | C18H32N4O4S |
|---|---|
| Molecular Weight | 400.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 400.21442 |
| Heavy Atoms | 27 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 577983-15-4 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NN=C(O1)CCCCCNC(=O)OC(C)(C)C |
| InChIKey | UJSFRLVRQQCGRC-UHFFFAOYSA-N |
Product Overview
tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate (CAS 577983-15-4), with molecular formula C18H32N4O4S and molecular weight 400.21 g/mol. IUPAC: tert-butyl N-[5-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentyl]carbamate.
Chemical Property Profile of tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
Property Insights of tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate. Following Lipinski's Rule of Five, tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate has 1 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 tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The CAS number of tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is 577983-15-4.
What is the molecular formula of tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The molecular formula of tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is C18H32N4O4S.
What is the molecular weight of tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
The molecular weight of tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate is 400.21 g/mol.
Where can I buy tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
You can request a quote for tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-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 tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (5-(5-((2-(diethylamino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)pentyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.