ε-癸内酯
TL;DR: ε-癸内酯 (CAS 5579-78-2) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ε-癸内酯
7-butyloxepan-2-one
Also Known As: Epsilon-decalactone, 7-Butyloxepan-2-one, 7-Butyl-2-oxepanone, 6-Butylhexanolide, e-decalactone
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
| Density | 0.976 |
| Refractive Index | 1.458-1.463 |
Chemical Identifiers
| CAS Number | 5579-78-2 |
|---|---|
| SMILES | CCCCC1CCCCC(=O)O1 |
| InChIKey | YKVIWISPFDZYOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ε-癸内酯 (CAS 5579-78-2), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 7-butyloxepan-2-one.
Chemical Property Profile of ε-癸内酯
Property Insights of ε-癸内酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ε-癸内酯. With a topological polar surface area (TPSA) of 26.3 Ų, ε-癸内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ε-癸内酯 has 0 hydrogen bond donor(s) and 2 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 ε-癸内酯?
The CAS number of ε-癸内酯 is 5579-78-2.
What is the molecular formula of ε-癸内酯?
The molecular formula of ε-癸内酯 is C10H18O2.
What is the molecular weight of ε-癸内酯?
The molecular weight of ε-癸内酯 is 170.13 g/mol.
Where can I buy ε-癸内酯?
You can request a quote for ε-癸内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ε-癸内酯?
Yes, KEHONG BIO provides custom synthesis services for ε-癸内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.