3,4-Epoxy-5-methyl-2-hexanon
TL;DR: 3,4-Epoxy-5-methyl-2-hexanon (CAS 181507-37-9) is a chemical compound with molecular formula C10H13FN4O3S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)ethyl]-2-(hydroxymethyl)-1,3-thiazolidin-4-one
Also Known As: 3,4-Epoxy-5-methyl-2-hexanon, 1-((2-BnOMe-4-oxo-3-thiazol)Et)cytosine, 1-[(2-BnOMe-4-oxo-3-thiazol)Et]cytosine, 3-[2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)ethyl]-2-(hydroxymethyl)-1,3-thiazolidin-4-one, 4-amino-5-fluoro-1-[2-[2-(hydroxymethyl)-4-oxo-thiazolidin-3-yl]ethyl]pyrimidin-2-one
| Molecular Formula | C10H13FN4O3S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.06924 |
| Heavy Atoms | 19 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 181507-37-9 |
|---|---|
| SMILES | C1C(=O)N(C(S1)CO)CCN2C=C(C(=NC2=O)N)F |
| InChIKey | KIBYNOSVQCZDBT-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 181507-37-9), with molecular formula C10H13FN4O3S and molecular weight 288.07 g/mol. IUPAC: 3-[2-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)ethyl]-2-(hydroxymethyl)-1,3-thiazolidin-4-one.
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 -1.4 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 125.0 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 181507-37-9.
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 C10H13FN4O3S.
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 288.07 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.