Δ-壬内酯
TL;DR: Δ-壬内酯 (CAS 3301-94-8) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Δ-壬内酯
6-butyloxan-2-one
Also Known As: DELTA-NONALACTONE, 6-butyloxan-2-one, A-Nonalactone, 5-Nonanolide, 6-Butyltetrahydro-2H-pyran-2-one
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| Density | 0.994-0.999 |
| Solubility | 1 ml in 1 ml 95% alcohol (in ethanol) |
| Refractive Index | 1.452-1.458 |
Chemical Identifiers
| CAS Number | 3301-94-8 |
|---|---|
| SMILES | CCCCC1CCCC(=O)O1 |
| InChIKey | PXRBWNLUQYZAAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Δ-壬内酯 (CAS 3301-94-8), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 6-butyloxan-2-one.
Chemical Property Profile of Δ-壬内酯
Property Insights of Δ-壬内酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Δ-壬内酯. With a topological polar surface area (TPSA) of 26.3 Ų, Δ-壬内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Δ-壬内酯 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-壬内酯?
The CAS number of Δ-壬内酯 is 3301-94-8.
What is the molecular formula of Δ-壬内酯?
The molecular formula of Δ-壬内酯 is C9H16O2.
What is the molecular weight of Δ-壬内酯?
The molecular weight of Δ-壬内酯 is 156.12 g/mol.
Where can I buy Δ-壬内酯?
You can request a quote for Δ-壬内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Δ-壬内酯?
Yes, KEHONG BIO provides custom synthesis services for Δ-壬内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.