![{(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester structure](/static/products/116/1164480-21-0.webp)
{(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester
TL;DR: {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester (CAS 1164480-21-0) is a chemical compound with molecular formula C18H27N5O5S and molecular weight 425.17328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(1S)-2-methyl-1-[5-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butyl]carbamate
Also Known As: {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester, tert-butyl ((1S,2R)-2-methyl-1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)butyl)carbamate
Technical Specifications
| Molecular Formula | C18H27N5O5S |
| Molecular Weight | 425.17328 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.17328 Da |
| Heavy Atoms | 29 |
| Complexity | 678.0 |
| SMILES | CCC(C)[C@@H](C1=NN=C(O1)SCC2=C(NC(=O)NC2=O)C)NC(=O)OC(C)(C)C |
| InChIKey | CUPZBCDMDRUQLS-ACGXKRRESA-N |
Chemical Property Profile of {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester
Property Insights of {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester. The TPSA of 161.0 Ų indicates high polarity, suggesting {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester?
The CAS number of {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester is 1164480-21-0.
What is the molecular formula of {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester?
The molecular formula of {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester is C18H27N5O5S.
What is the molecular weight of {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester?
The molecular weight of {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester is 425.17328 g/mol.
Where can I buy {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester?
You can request a quote for {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester?
Yes, CoreyChem provides custom synthesis services for {(S)-2-Methyl-1-[5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethylsulfanyl)-[1,3,4]oxadiazol- 2-yl]-butyl}-carbamic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.