3,4-Epoxy-5-methyl-2-hexanon
TL;DR: 3,4-Epoxy-5-methyl-2-hexanon (CAS 181507-38-0) is a chemical compound with molecular formula C11H15N3O4S and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-5-methylpyrimidine-2,4-dione
Also Known As: 3,4-Epoxy-5-methyl-2-hexanon, 1-((2-HOCH2-4-oxo-3-thiazol)Et)thymine, 1-[(2-HOCH2-4-oxo-3-thiazol)Et]thymine, 2,4(1H,3H)-Pyrimidinedione, 1-(2-(2-(hydroxymethyl)-4-oxo-3-thiazolidinyl)ethyl)-5-methyl-, 1-[2-[2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C11H15N3O4S |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.07834 |
| Heavy Atoms | 19 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 181507-38-0 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)CCN2C(SCC2=O)CO |
| InChIKey | XXSFCXSXESUXIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Epoxy-5-methyl-2-hexanon (CAS 181507-38-0), with molecular formula C11H15N3O4S and molecular weight 285.08 g/mol. IUPAC: 1-[2-[2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 3,4-Epoxy-5-methyl-2-hexanon
Property Insights of 3,4-Epoxy-5-methyl-2-hexanon
The XLogP value of -1.0 indicates that 3,4-Epoxy-5-methyl-2-hexanon is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Epoxy-5-methyl-2-hexanon. Following Lipinski's Rule of Five, 3,4-Epoxy-5-methyl-2-hexanon 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
Frequently Asked Questions
What is the CAS number of 3,4-Epoxy-5-methyl-2-hexanon?
The CAS number of 3,4-Epoxy-5-methyl-2-hexanon is 181507-38-0.
What is the molecular formula of 3,4-Epoxy-5-methyl-2-hexanon?
The molecular formula of 3,4-Epoxy-5-methyl-2-hexanon is C11H15N3O4S.
What is the molecular weight of 3,4-Epoxy-5-methyl-2-hexanon?
The molecular weight of 3,4-Epoxy-5-methyl-2-hexanon is 285.08 g/mol.
Where can I buy 3,4-Epoxy-5-methyl-2-hexanon?
You can request a quote for 3,4-Epoxy-5-methyl-2-hexanon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Epoxy-5-methyl-2-hexanon?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Epoxy-5-methyl-2-hexanon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.