trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one
TL;DR: trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one (CAS 58002-07-6) is a chemical compound with molecular formula C13H24O3 and molecular weight 228.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methylheptan-2-one
Also Known As: 5-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methylheptan-2-one, (E)-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnon-2-one, trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one, 5-[3-(1-Hydroxy-1-methylethyl)-2-oxiranyl]-6-methyl-2-heptanone #, 2-Heptanone, 5-[3-(1-hydroxy-1-methylethyl)oxiranyl]-6-methyl-, [2I+/-,(S*),3I(2)]-
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 58002-07-6 |
|---|---|
| SMILES | CC(C)C(CCC(=O)C)C1C(O1)C(C)(C)O |
| InChIKey | NZONGNWZJAITOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one (CAS 58002-07-6), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: 5-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methylheptan-2-one.
Chemical Property Profile of trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one
Property Insights of trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one. With a topological polar surface area (TPSA) of 49.8 Ų, trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one has 1 hydrogen bond donor(s) and 3 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 trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one?
The CAS number of trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one is 58002-07-6.
What is the molecular formula of trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one?
The molecular formula of trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one is C13H24O3.
What is the molecular weight of trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one?
The molecular weight of trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one is 228.17 g/mol.
Where can I buy trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one?
You can request a quote for trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one?
Yes, KEHONG BIO provides custom synthesis services for trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.