己内酯
TL;DR: 己内酯 (CAS 502-44-3) 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.
己内酯
oxepan-2-one
Also Known As: oxepan-2-one, Epsilon-caprolactone, 6-Hexanolactone, CAPROLACTONE, 2-Oxepanone
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 0.0 |
| 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 | 88.0 |
| Melting Point | -1.5 °C |
| Boiling Point | 237 °C |
| Density | 1.07 g/cm³ |
| Solubility | Solubility in water: miscible |
| Flash Point | 127 °C o.c. |
| Vapor Pressure | 0.13 [mmHg] |
Chemical Identifiers
| CAS Number | 502-44-3 |
|---|---|
| SMILES | C1CCC(=O)OCC1 |
| InChIKey | PAPBSGBWRJIAAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己内酯 (CAS 502-44-3), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: oxepan-2-one.
Chemical Property Profile of 己内酯
Property Insights of 己内酯
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己内酯. With a topological polar surface area (TPSA) of 26.3 Ų, 己内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 己内酯?
The CAS number of 己内酯 is 502-44-3.
What is the molecular formula of 己内酯?
The molecular formula of 己内酯 is C6H10O2.
What is the molecular weight of 己内酯?
The molecular weight of 己内酯 is 114.07 g/mol.
Where can I buy 己内酯?
You can request a quote for 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 己内酯?
Yes, KEHONG BIO provides custom synthesis services for 己内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.