beta-Cyclocostunolide
TL;DR: beta-Cyclocostunolide (CAS 2221-82-1) 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.
(3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Also Known As: beta-Cyclocostunolide, A-cyclocostunolide, (3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one, (3aS,5aR,9aS,9bS)-5a-Methyl-3,9-dimethylene-decahydro-naphtho[1,2-b]furan-2-one, (3aS,5aR,9aS,9bS)-5a-Methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-one
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 3.6 |
| 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 | 409.0 |
Chemical Identifiers
| CAS Number | 2221-82-1 |
|---|---|
| SMILES | C[C@]12CCCC(=C)[C@@H]1[C@@H]3[C@@H](CC2)C(=C)C(=O)O3 |
| InChIKey | XUYAKPXYKQEFPD-SFDCQRBFSA-N |
Product Overview
beta-Cyclocostunolide (CAS 2221-82-1), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: (3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one.
Chemical Property Profile of beta-Cyclocostunolide
Property Insights of beta-Cyclocostunolide
The XLogP value of 3.6 indicates that beta-Cyclocostunolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, beta-Cyclocostunolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Cyclocostunolide 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 beta-Cyclocostunolide?
The CAS number of beta-Cyclocostunolide is 2221-82-1.
What is the molecular formula of beta-Cyclocostunolide?
The molecular formula of beta-Cyclocostunolide is C15H20O2.
What is the molecular weight of beta-Cyclocostunolide?
The molecular weight of beta-Cyclocostunolide is 232.15 g/mol.
Where can I buy beta-Cyclocostunolide?
You can request a quote for beta-Cyclocostunolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Cyclocostunolide?
Yes, KEHONG BIO provides custom synthesis services for beta-Cyclocostunolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.