Δ-辛内酯
TL;DR: Δ-辛内酯 (CAS 698-76-0) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Δ-辛内酯
6-propyloxan-2-one
Also Known As: delta-Octanolactone, DELTA-OCTALACTONE, 6-propyloxan-2-one, 5-Octanolide, A-Octanolactone
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
| Density | 0.994-0.999 |
| Refractive Index | 1.452-1.458 |
Chemical Identifiers
| CAS Number | 698-76-0 |
|---|---|
| SMILES | CCCC1CCCC(=O)O1 |
| InChIKey | FYTRVXSHONWYNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Δ-辛内酯 (CAS 698-76-0), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 6-propyloxan-2-one.
Chemical Property Profile of Δ-辛内酯
Property Insights of Δ-辛内酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Δ-辛内酯. With a topological polar surface area (TPSA) of 26.3 Ų, Δ-辛内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Δ-辛内酯 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 Δ-辛内酯?
The CAS number of Δ-辛内酯 is 698-76-0.
What is the molecular formula of Δ-辛内酯?
The molecular formula of Δ-辛内酯 is C8H14O2.
What is the molecular weight of Δ-辛内酯?
The molecular weight of Δ-辛内酯 is 142.10 g/mol.
Where can I buy Δ-辛内酯?
You can request a quote for Δ-辛内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Δ-辛内酯?
Yes, KEHONG BIO provides custom synthesis services for Δ-辛内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.