![tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate structure](/static/products/101/1019921-80-2.png)
tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
TL;DR: tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate (CAS 1019921-80-2) is a chemical compound with molecular formula C22H24FN3O5S and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Also Known As: tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate, (S)-tert-butyl (1-(5-((3-fluorobenzyl)sulfonyl)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate, N-[(1S)-1-[5-(3-fluorobenzyl)sulfonyl-1,3,4-oxadiazol-2-yl]-2-phenyl-ethyl]carbamic acid tert-butyl ester, N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamic acid tert-butyl ester, tert-butyl [(1S)-1-{5-[(3-fluorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-2-phenylethyl]carbamate
| Molecular Formula | C22H24FN3O5S |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.14206 |
| Heavy Atoms | 32 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 1019921-80-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)S(=O)(=O)CC3=CC(=CC=C3)F |
| InChIKey | VCSNQZGUMMNBJW-SFHVURJKSA-N |
Product Overview
tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate (CAS 1019921-80-2), with molecular formula C22H24FN3O5S and molecular weight 461.14 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate.
Chemical Property Profile of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Property Insights of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
The XLogP value of 3.4 indicates that tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate. Following Lipinski's Rule of Five, tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate has 1 hydrogen bond donor(s) and 8 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-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate?
The CAS number of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate is 1019921-80-2.
What is the molecular formula of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate?
The molecular formula of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate is C22H24FN3O5S.
What is the molecular weight of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate?
The molecular weight of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate is 461.14 g/mol.
Where can I buy tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate?
You can request a quote for tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]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-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.