(S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate
TL;DR: (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate (CAS 1164530-62-4) is a chemical compound with molecular formula C12H21N3O3S and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propyl]carbamate
Also Known As: (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate, tert-butyl N-[(1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propyl]carbamate, TERT-BUTYL N-{2-METHYL-1-[5-(METHYLSULFANYL)-1,3,4-OXADIAZOL-2-YL]PROPYL}CARBAMATE
| Molecular Formula | C12H21N3O3S |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.13037 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 1164530-62-4 |
|---|---|
| SMILES | CC(C)[C@@H](C1=NN=C(O1)SC)NC(=O)OC(C)(C)C |
| InChIKey | QOVZPLDBNYZEFJ-QMMMGPOBSA-N |
Product Overview
(S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate (CAS 1164530-62-4), with molecular formula C12H21N3O3S and molecular weight 287.13 g/mol. IUPAC: tert-butyl N-[(1S)-2-methyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate
Property Insights of (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)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 (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate?
The CAS number of (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate is 1164530-62-4.
What is the molecular formula of (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate?
The molecular formula of (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate is C12H21N3O3S.
What is the molecular weight of (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate?
The molecular weight of (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate is 287.13 g/mol.
Where can I buy (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate?
You can request a quote for (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (2-methyl-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.