Calitoxin
TL;DR: Calitoxin (CAS 118354-50-0) is a chemical compound with molecular formula C15H18O2 and molecular weight 230.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1aR,1bS,5aS,9bS)-7-methoxy-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene
Also Known As: Calitoxin, (1aR,1bS,5aS,9bS)-7-methoxy-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene, (4abeta,9beta,10beta)-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene, (4abeta,9beta,10beta )-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenenthrene, (4abeta,9beta,10beta)-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenenthrene
Technical Specifications
| Molecular Formula | C15H18O2 |
| Molecular Weight | 230.13068 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.13068 Da |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
| SMILES | COC1=CC2=C(C=C1)[C@H]3[C@H](O3)[C@@H]4[C@@H]2CCCC4 |
| InChIKey | SEEWCDWTXYKWKT-AZHAFVHUSA-N |
Chemical Property Profile of Calitoxin
Property Insights of Calitoxin
The XLogP value of 3.3 indicates that Calitoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.8 Ų, Calitoxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calitoxin 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
What is the CAS number of Calitoxin?
The CAS number of Calitoxin is 118354-50-0.
What is the molecular formula of Calitoxin?
The molecular formula of Calitoxin is C15H18O2.
What is the molecular weight of Calitoxin?
The molecular weight of Calitoxin is 230.13068 g/mol.
Where can I buy Calitoxin?
You can request a quote for Calitoxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calitoxin?
Yes, CoreyChem provides custom synthesis services for Calitoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.