(+-)-毛索亚内酯
TL;DR: (+-)-毛索亚内酯 (CAS 54814-64-1) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(+-)-毛索亚内酯
2-pentyl-2,3-dihydropyran-6-one
Also Known As: Massoia lactone, Massoilactone, Cocolactone, Massoialactone, Massoy lactone
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| Boiling Point | 286.00 to 287.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 54814-64-1 |
|---|---|
| SMILES | CCCCCC1CC=CC(=O)O1 |
| InChIKey | NEDIAPMWNCQWNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+-)-毛索亚内酯 (CAS 54814-64-1), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 2-pentyl-2,3-dihydropyran-6-one.
Chemical Property Profile of (+-)-毛索亚内酯
Property Insights of (+-)-毛索亚内酯
The XLogP value of 3.1 indicates that (+-)-毛索亚内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (+-)-毛索亚内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-毛索亚内酯 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 (+-)-毛索亚内酯?
The CAS number of (+-)-毛索亚内酯 is 54814-64-1.
What is the molecular formula of (+-)-毛索亚内酯?
The molecular formula of (+-)-毛索亚内酯 is C10H16O2.
What is the molecular weight of (+-)-毛索亚内酯?
The molecular weight of (+-)-毛索亚内酯 is 168.12 g/mol.
Where can I buy (+-)-毛索亚内酯?
You can request a quote for (+-)-毛索亚内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-毛索亚内酯?
Yes, KEHONG BIO provides custom synthesis services for (+-)-毛索亚内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.