tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
TL;DR: tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 714235-93-5) is a chemical compound with molecular formula C15H21N5O5S and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[5-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl [2-(5-{[(2,4-dihydroxy-6-methylpyrimidin-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)ethyl]carbamate, tert-butyl N-[2-[5-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
| Molecular Formula | C15H21N5O5S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 1.11412 |
| Topological Polar Surface Area | 142.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.12634 |
| Heavy Atoms | 26 |
| Complexity | 879.5279 |
Chemical Identifiers
| CAS Number | 714235-93-5 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)CSC2=NN=C(O2)CCNC(=O)OC(C)(C)C |
Product Overview
tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate (CAS 714235-93-5), with molecular formula C15H21N5O5S and molecular weight 383.13 g/mol. IUPAC: tert-butyl N-[2-[5-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
Property Insights of tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate
The XLogP value of 1.11412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate. The TPSA of 142.97 Ų indicates high polarity, suggesting tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)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 tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The CAS number of tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 714235-93-5.
What is the molecular formula of tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular formula of tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is C15H21N5O5S.
What is the molecular weight of tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
The molecular weight of tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate is 383.13 g/mol.
Where can I buy tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
You can request a quote for tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)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 (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (2-(5-(((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)ethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.