![(2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester structure](/static/products/577/577962-65-3.png)
(2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester
TL;DR: (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester (CAS 577962-65-3) is a chemical compound with molecular formula C19H26N4O4S and molecular weight 406.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester, tert-butyl (2-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl {2-[5-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}carbamate, tert-butyl N-[2-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate
| Molecular Formula | C19H26N4O4S |
|---|---|
| Molecular Weight | 406.17 g/mol |
| LogP | 3.48444 |
| Topological Polar Surface Area | 106.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.16748 |
| Heavy Atoms | 28 |
| Complexity | 829.58136 |
Chemical Identifiers
| CAS Number | 577962-65-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(O2)CCNC(=O)OC(C)(C)C |
Product Overview
(2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester (CAS 577962-65-3), with molecular formula C19H26N4O4S and molecular weight 406.17 g/mol. IUPAC: tert-butyl N-[2-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester
Property Insights of (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester
The XLogP value of 3.48444 indicates that (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester. Following Lipinski's Rule of Five, (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester 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 (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester?
The CAS number of (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester is 577962-65-3.
What is the molecular formula of (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester?
The molecular formula of (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester is C19H26N4O4S.
What is the molecular weight of (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester?
The molecular weight of (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester is 406.17 g/mol.
Where can I buy (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester?
You can request a quote for (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2-{5-[(2,5-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-[1,3,4]oxadiazol-2-yl}-ethyl)-carbamic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.