5-羟基-2-十二碳烯酸δ-内酯
TL;DR: 5-羟基-2-十二碳烯酸δ-内酯 (CAS 16400-72-9) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-羟基-2-十二碳烯酸δ-内酯
2-heptyl-2,3-dihydropyran-6-one
Also Known As: 2-dodecen-5-olide, delta-2-Dodecenolactone, 6-Heptyl-5,6-dihydro-2H-pyran-2-one, 5-Heptyl-2-pentene-5-olide, 2-heptyl-2,3-dihydropyran-6-one
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
| Boiling Point | 315.00 to 317.00 °C. @ 760.00 mm Hg |
| Density | 1.470-1.480 |
| Solubility | soluble in fat, ethanol, propylene glycol and triacetin |
| Refractive Index | 1.467-1.473 |
Chemical Identifiers
| CAS Number | 16400-72-9 |
|---|---|
| SMILES | CCCCCCCC1CC=CC(=O)O1 |
| InChIKey | XPTXKXKPWKNYKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-羟基-2-十二碳烯酸δ-内酯 (CAS 16400-72-9), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 2-heptyl-2,3-dihydropyran-6-one.
Chemical Property Profile of 5-羟基-2-十二碳烯酸δ-内酯
Property Insights of 5-羟基-2-十二碳烯酸δ-内酯
The XLogP value of 4.2 indicates that 5-羟基-2-十二碳烯酸δ-内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-羟基-2-十二碳烯酸δ-内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-羟基-2-十二碳烯酸δ-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 5-羟基-2-十二碳烯酸δ-内酯?
The CAS number of 5-羟基-2-十二碳烯酸δ-内酯 is 16400-72-9.
What is the molecular formula of 5-羟基-2-十二碳烯酸δ-内酯?
The molecular formula of 5-羟基-2-十二碳烯酸δ-内酯 is C12H20O2.
What is the molecular weight of 5-羟基-2-十二碳烯酸δ-内酯?
The molecular weight of 5-羟基-2-十二碳烯酸δ-内酯 is 196.15 g/mol.
Where can I buy 5-羟基-2-十二碳烯酸δ-内酯?
You can request a quote for 5-羟基-2-十二碳烯酸δ-内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-羟基-2-十二碳烯酸δ-内酯?
Yes, KEHONG BIO provides custom synthesis services for 5-羟基-2-十二碳烯酸δ-内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.