δ-己内酯
TL;DR: δ-己内酯 (CAS 823-22-3) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
δ-己内酯
6-methyloxan-2-one
Also Known As: delta-Hexalactone, delta-Hexanolactone, 6-methyloxan-2-one, delta-Caprolactone, Hexanolactone
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
| Melting Point | 31.00 °C. @ 760.00 mm Hg |
| Boiling Point | 110.00 to 112.00 °C. @ 15.00 mm Hg |
| Density | 1.0162 (20°/20°) |
| Solubility | soluble in alcohol, oil, propylene glycol, and ether; slightly soluble in water |
| Refractive Index | 1.449-1.453 |
Chemical Identifiers
| CAS Number | 823-22-3 |
|---|---|
| SMILES | CC1CCCC(=O)O1 |
| InChIKey | RZTOWFMDBDPERY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
δ-己内酯 (CAS 823-22-3), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 6-methyloxan-2-one.
Chemical Property Profile of δ-己内酯
Property Insights of δ-己内酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for δ-己内酯. With a topological polar surface area (TPSA) of 26.3 Ų, δ-己内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, δ-己内酯 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-己内酯?
The CAS number of δ-己内酯 is 823-22-3.
What is the molecular formula of δ-己内酯?
The molecular formula of δ-己内酯 is C6H10O2.
What is the molecular weight of δ-己内酯?
The molecular weight of δ-己内酯 is 114.07 g/mol.
Where can I buy δ-己内酯?
You can request a quote for δ-己内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for δ-己内酯?
Yes, KEHONG BIO provides custom synthesis services for δ-己内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.