![tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate structure](/static/products/577/577997-07-0.png)
tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
TL;DR: tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate (CAS 577997-07-0) is a chemical compound with molecular formula C16H20ClN3O3S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate, {2-[5-(4-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-ethyl}-carbamic acid tert-butyl ester, N-[2-[5-[(4-chlorobenzyl)thio]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester, tert-butyl (2-(5-((4-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl (2-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl)carbamate
| Molecular Formula | C16H20ClN3O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 4.0825 |
| Topological Polar Surface Area | 77.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0914 |
| Heavy Atoms | 24 |
| Complexity | 667.95233 |
Chemical Identifiers
| CAS Number | 577997-07-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC1=NN=C(O1)SCC2=CC=C(C=C2)Cl |
Product Overview
tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate (CAS 577997-07-0), with molecular formula C16H20ClN3O3S and molecular weight 369.09 g/mol. IUPAC: tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Property Insights of tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
The XLogP value of 4.0825 indicates that tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]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 tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate. Following Lipinski's Rule of Five, tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate has 1 hydrogen bond donor(s) and 6 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 N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The CAS number of tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate is 577997-07-0.
What is the molecular formula of tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The molecular formula of tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate is C16H20ClN3O3S.
What is the molecular weight of tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The molecular weight of tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate is 369.09 g/mol.
Where can I buy tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
You can request a quote for tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]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 N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.