(S)-tert-butyl (3-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
TL;DR: (S)-tert-butyl (3-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 (CAS 1164494-40-9) is a chemical compound with molecular formula C18H27N5O5S and molecular weight 425.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-3-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)-tert-butyl (3-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, tert-butyl [(1S)-1-(5-{[(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate, tert-butyl N-[(1S)-3-methyl-1-[5-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butyl]carbamate
| Molecular Formula | C18H27N5O5S |
|---|---|
| Molecular Weight | 425.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.17328 |
| Heavy Atoms | 29 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 1164494-40-9 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)CSC2=NN=C(O2)[C@H](CC(C)C)NC(=O)OC(C)(C)C |
| InChIKey | QTZJIXSVTFQGEQ-LBPRGKRZSA-N |
Product Overview
(S)-tert-butyl (3-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 (CAS 1164494-40-9), with molecular formula C18H27N5O5S and molecular weight 425.17 g/mol. IUPAC: tert-butyl N-[(1S)-3-methyl-1-[5-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (3-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
Property Insights of (S)-tert-butyl (3-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
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl (3-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. The TPSA of 161.0 Ų indicates high polarity, suggesting (S)-tert-butyl (3-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 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-tert-butyl (3-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 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 (3-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?
The CAS number of (S)-tert-butyl (3-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 is 1164494-40-9.
What is the molecular formula of (S)-tert-butyl (3-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?
The molecular formula of (S)-tert-butyl (3-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 is C18H27N5O5S.
What is the molecular weight of (S)-tert-butyl (3-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?
The molecular weight of (S)-tert-butyl (3-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 is 425.17 g/mol.
Where can I buy (S)-tert-butyl (3-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?
You can request a quote for (S)-tert-butyl (3-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 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 (3-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?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (3-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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.