土木香内酯
TL;DR: 土木香内酯 (CAS 546-43-0) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
土木香内酯
(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Also Known As: Alantolactone, helenine, helenin, Eupatal, Alant camphor
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 546-43-0 |
|---|---|
| SMILES | C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C |
| InChIKey | PXOYOCNNSUAQNS-AGNJHWRGSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
土木香内酯 (CAS 546-43-0), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one.
Chemical Property Profile of 土木香内酯
Property Insights of 土木香内酯
The XLogP value of 3.7 indicates that 土木香内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 土木香内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 土木香内酯 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 土木香内酯?
The CAS number of 土木香内酯 is 546-43-0.
What is the molecular formula of 土木香内酯?
The molecular formula of 土木香内酯 is C15H20O2.
What is the molecular weight of 土木香内酯?
The molecular weight of 土木香内酯 is 232.15 g/mol.
Where can I buy 土木香内酯?
You can request a quote for 土木香内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 土木香内酯?
Yes, KEHONG BIO provides custom synthesis services for 土木香内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.