Cadabicilone
TL;DR: Cadabicilone (CAS 14804-47-8) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione
Also Known As: Cadabicilone, Santonin, .beta.-tetrahydro-, .alpha.-Santonin, .beta.-tetrahydro-, 3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione, 3,5a,9-trimethyl-dodecahydronaphtho[1,2-b]furan-2,8-dione
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 14804-47-8 |
|---|---|
| SMILES | CC1C2CCC3(CCC(=O)C(C3C2OC1=O)C)C |
| InChIKey | BXRGGUXPWTWACZ-UHFFFAOYSA-N |
Product Overview
Cadabicilone (CAS 14804-47-8), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: 3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione.
Chemical Property Profile of Cadabicilone
Property Insights of Cadabicilone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cadabicilone. With a topological polar surface area (TPSA) of 43.4 Ų, Cadabicilone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cadabicilone has 0 hydrogen bond donor(s) and 3 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 Cadabicilone?
The CAS number of Cadabicilone is 14804-47-8.
What is the molecular formula of Cadabicilone?
The molecular formula of Cadabicilone is C15H22O3.
What is the molecular weight of Cadabicilone?
The molecular weight of Cadabicilone is 250.16 g/mol.
Where can I buy Cadabicilone?
You can request a quote for Cadabicilone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cadabicilone?
Yes, KEHONG BIO provides custom synthesis services for Cadabicilone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.