Loliolide
TL;DR: Loliolide (CAS 5989-02-6) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
Also Known As: Loliolid, LOLIOLIDE, calendin, (-)-loliolide, Digiprolactone
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 5989-02-6 |
|---|---|
| SMILES | C[C@@]12C[C@H](CC(C1=CC(=O)O2)(C)C)O |
| InChIKey | XEVQXKKKAVVSMW-WRWORJQWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Loliolide (CAS 5989-02-6), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one.
Chemical Property Profile of Loliolide
Property Insights of Loliolide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Loliolide. With a topological polar surface area (TPSA) of 46.5 Ų, Loliolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Loliolide has 1 hydrogen bond donor(s) and 3 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 Loliolide?
The CAS number of Loliolide is 5989-02-6.
What is the molecular formula of Loliolide?
The molecular formula of Loliolide is C11H16O3.
What is the molecular weight of Loliolide?
The molecular weight of Loliolide is 196.11 g/mol.
Where can I buy Loliolide?
You can request a quote for Loliolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Loliolide?
Yes, KEHONG BIO provides custom synthesis services for Loliolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.