![tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate structure](/static/products/116/1164514-99-1.png)
tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
TL;DR: tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate (CAS 1164514-99-1) is a chemical compound with molecular formula C19H25BrN4O4S and molecular weight 484.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
Also Known As: tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate, (S)-tert-butyl (1-(5-((2-((4-bromophenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-methylpropyl)carbamate, N-[(1S)-1-[5-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]-2-methyl-propyl]carbamic acid tert-butyl ester, N-[(1S)-1-[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamic acid tert-butyl ester, tert-butyl N-[(1S)-1-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methyl-propyl]carbamate
| Molecular Formula | C19H25BrN4O4S |
|---|---|
| Molecular Weight | 484.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.078 |
| Heavy Atoms | 29 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 1164514-99-1 |
|---|---|
| SMILES | CC(C)[C@@H](C1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)Br)NC(=O)OC(C)(C)C |
| InChIKey | WPWJXQYRFIKQJT-HNNXBMFYSA-N |
Product Overview
tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate (CAS 1164514-99-1), with molecular formula C19H25BrN4O4S and molecular weight 484.08 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate.
Chemical Property Profile of tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
Property Insights of tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
The XLogP value of 4.1 indicates that tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate. Following Lipinski's Rule of Five, tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate 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 tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate?
The CAS number of tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate is 1164514-99-1.
What is the molecular formula of tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate?
The molecular formula of tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate is C19H25BrN4O4S.
What is the molecular weight of tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate?
The molecular weight of tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate is 484.08 g/mol.
Where can I buy tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate?
You can request a quote for tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]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-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.