白果内酯
TL;DR: 白果内酯 (CAS 33570-04-6) is a chemical compound with molecular formula C15H18O8 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
白果内酯
(1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione
Also Known As: Bilobalide, (-)-Bilobalide, Bilobalid, Bilobalide A, Bilobalide;
| Molecular Formula | C15H18O8 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.10016 |
| Heavy Atoms | 23 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 33570-04-6 |
|---|---|
| SMILES | CC(C)(C)[C@@]1(C[C@H]2[C@@]3([C@]14[C@H](C(=O)O[C@H]4OC3=O)O)CC(=O)O2)O |
| InChIKey | MOLPUWBMSBJXER-YDGSQGCISA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
白果内酯 (CAS 33570-04-6), with molecular formula C15H18O8 and molecular weight 326.10 g/mol. IUPAC: (1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione.
Chemical Property Profile of 白果内酯
Property Insights of 白果内酯
The XLogP value of -0.3 indicates that 白果内酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 白果内酯. Following Lipinski's Rule of Five, 白果内酯 has 2 hydrogen bond donor(s) and 8 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 白果内酯?
The CAS number of 白果内酯 is 33570-04-6.
What is the molecular formula of 白果内酯?
The molecular formula of 白果内酯 is C15H18O8.
What is the molecular weight of 白果内酯?
The molecular weight of 白果内酯 is 326.10 g/mol.
Where can I buy 白果内酯?
You can request a quote for 白果内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白果内酯?
Yes, KEHONG BIO provides custom synthesis services for 白果内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.