tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate
TL;DR: tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate (CAS 1173662-00-4) is a chemical compound with molecular formula C12H21N3O3S and molecular weight 287.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-2-methyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)butyl]carbamate
Also Known As: tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate, tert-butyl N-[(1S)-2-methyl-1-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)butyl]carbamate
Technical Specifications
| Molecular Formula | C12H21N3O3S |
| Molecular Weight | 287.13037 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.13037 Da |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
| SMILES | CCC(C)[C@@H](C1=NNC(=S)O1)NC(=O)OC(C)(C)C |
| InChIKey | VFNSGEYIBUASLR-MQWKRIRWSA-N |
Chemical Property Profile of tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate
Property Insights of tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate. Following Lipinski's Rule of Five, tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate?
The CAS number of tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate is 1173662-00-4.
What is the molecular formula of tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate?
The molecular formula of tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate is C12H21N3O3S.
What is the molecular weight of tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate?
The molecular weight of tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate is 287.13037 g/mol.
Where can I buy tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate?
You can request a quote for tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate?
Yes, CoreyChem provides custom synthesis services for tert-butyl ((1S,2R)-1-(5-mercapto-1,3,4-oxadiazol-2-yl)-2-methylbutyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.