去氢木香内酯
TL;DR: 去氢木香内酯 (CAS 477-43-0) is a chemical compound with molecular formula C15H18O2 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去氢木香内酯
(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Also Known As: Dehydrocostus lactone, dehydrocostuslactone, Epiligulyl oxide, dehydrocostunolide, (-)-dehydrocostus lactone
| Molecular Formula | C15H18O2 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.13068 |
| Heavy Atoms | 17 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 477-43-0 |
|---|---|
| SMILES | C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C |
| InChIKey | NETSQGRTUNRXEO-XUXIUFHCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
去氢木香内酯 (CAS 477-43-0), with molecular formula C15H18O2 and molecular weight 230.13 g/mol. IUPAC: (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one.
Chemical Property Profile of 去氢木香内酯
Property Insights of 去氢木香内酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 去氢木香内酯. With a topological polar surface area (TPSA) of 26.3 Ų, 去氢木香内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 去氢木香内酯 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 去氢木香内酯?
The CAS number of 去氢木香内酯 is 477-43-0.
What is the molecular formula of 去氢木香内酯?
The molecular formula of 去氢木香内酯 is C15H18O2.
What is the molecular weight of 去氢木香内酯?
The molecular weight of 去氢木香内酯 is 230.13 g/mol.
Where can I buy 去氢木香内酯?
You can request a quote for 去氢木香内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去氢木香内酯?
Yes, KEHONG BIO provides custom synthesis services for 去氢木香内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.