斑鸠菊内酯
TL;DR: 斑鸠菊内酯 (CAS 59598-29-7) is a chemical compound with molecular formula C15H16O5 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
斑鸠菊内酯
5a-ethenyl-4-hydroxy-3,9-dimethylidene-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromene-2,8-dione
Also Known As: Vernolepin, Vernonia lactone, 5a-Ethenyl-4-hydroxy-3,9-dimethylideneoctahydro-2H-furo[2,3-f][2]benzopyran-2,8(3H)-dione, 5a-ethenyl-4-hydroxy-3,9-dimethylideneoctahydro-2h-furo[2,3-f]isochromene-2,8(3h)-dione, 5a-ethenyl-4-hydroxy-3,9-dimethylidene-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromene-2,8-dione
| Molecular Formula | C15H16O5 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.09976 |
| Heavy Atoms | 20 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 59598-29-7 |
|---|---|
| SMILES | C=CC12CC(C3C(C1C(=C)C(=O)OC2)OC(=O)C3=C)O |
| InChIKey | IFYQXAXVZGMFNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
斑鸠菊内酯 (CAS 59598-29-7), with molecular formula C15H16O5 and molecular weight 276.10 g/mol. IUPAC: 5a-ethenyl-4-hydroxy-3,9-dimethylidene-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromene-2,8-dione.
Chemical Property Profile of 斑鸠菊内酯
Property Insights of 斑鸠菊内酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 斑鸠菊内酯. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 斑鸠菊内酯. Following Lipinski's Rule of Five, 斑鸠菊内酯 has 1 hydrogen bond donor(s) and 5 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 斑鸠菊内酯?
The CAS number of 斑鸠菊内酯 is 59598-29-7.
What is the molecular formula of 斑鸠菊内酯?
The molecular formula of 斑鸠菊内酯 is C15H16O5.
What is the molecular weight of 斑鸠菊内酯?
The molecular weight of 斑鸠菊内酯 is 276.10 g/mol.
Where can I buy 斑鸠菊内酯?
You can request a quote for 斑鸠菊内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 斑鸠菊内酯?
Yes, KEHONG BIO provides custom synthesis services for 斑鸠菊内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.