alpha-Cyclocostunolide
TL;DR: alpha-Cyclocostunolide (CAS 2221-81-0) 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.
(3aS,5aR,9aR,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Also Known As: Cyclocostunolide, alpha-Cyclocostunolide, (3aS,5aR,9aR,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one, Eudesma-3,11(13)-dien-12-oic acid, 6.alpha.-hydroxy-, .gamma.-lactone, Naphtho(1,2-b)furan-2(3H)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-5a,9-dimethyl-3-methylene-, (3aS-(3aalpha,5abeta,9aalpha,9bbeta))-
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 3.3 |
| 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 | 2221-81-0 |
|---|---|
| SMILES | CC1=CCC[C@]2([C@H]1[C@@H]3[C@@H](CC2)C(=C)C(=O)O3)C |
| InChIKey | UHODXTMZSDNATP-SFDCQRBFSA-N |
Product Overview
alpha-Cyclocostunolide (CAS 2221-81-0), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: (3aS,5aR,9aR,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one.
Chemical Property Profile of alpha-Cyclocostunolide
Property Insights of alpha-Cyclocostunolide
The XLogP value of 3.3 indicates that alpha-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, alpha-Cyclocostunolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-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 alpha-Cyclocostunolide?
The CAS number of alpha-Cyclocostunolide is 2221-81-0.
What is the molecular formula of alpha-Cyclocostunolide?
The molecular formula of alpha-Cyclocostunolide is C15H20O2.
What is the molecular weight of alpha-Cyclocostunolide?
The molecular weight of alpha-Cyclocostunolide is 232.15 g/mol.
Where can I buy alpha-Cyclocostunolide?
You can request a quote for alpha-Cyclocostunolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Cyclocostunolide?
Yes, KEHONG BIO provides custom synthesis services for alpha-Cyclocostunolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.