(S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
TL;DR: (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1173674-21-9) is a chemical compound with molecular formula C21H25N5O5S and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[5-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate, tert-butyl N-[(1S)-1-[5-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
| Molecular Formula | C21H25N5O5S |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 2.85542 |
| Topological Polar Surface Area | 142.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.15765 |
| Heavy Atoms | 32 |
| Complexity | 1179.5264 |
Chemical Identifiers
| CAS Number | 1173674-21-9 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)CSC2=NN=C(O2)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate (CAS 1173674-21-9), with molecular formula C21H25N5O5S and molecular weight 459.16 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
Property Insights of (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate
The XLogP value of 2.85542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate. The TPSA of 142.97 Ų indicates high polarity, suggesting (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate 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
Frequently Asked Questions
What is the CAS number of (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The CAS number of (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 1173674-21-9.
What is the molecular formula of (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is C21H25N5O5S.
What is the molecular weight of (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate is 459.16 g/mol.
Where can I buy (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-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 (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.