Gephyrotoxin
TL;DR: Gephyrotoxin (CAS 75685-48-2) is a chemical compound with molecular formula C19H29NO and molecular weight 287.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,3aR,5aR,6R,9aS)-6-[(Z)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol
Also Known As: Gephyrotoxin, Histrionicotoxin D, HTX D, Gephyrotoxin 287C, GEPHYROTOXIN [MI]
| Molecular Formula | C19H29NO |
|---|---|
| Molecular Weight | 287.22 g/mol |
| LogP | 3.36 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.2249 |
| Heavy Atoms | 21 |
| Complexity | 410.27963 |
Chemical Identifiers
| CAS Number | 75685-48-2 |
|---|---|
| SMILES | C#C/C=C\C[C@H]1CCC[C@H]2[C@@H]1CC[C@H]3N2[C@H](CC3)CCO |
Product Overview
Gephyrotoxin (CAS 75685-48-2), with molecular formula C19H29NO and molecular weight 287.22 g/mol. IUPAC: 2-[(1R,3aR,5aR,6R,9aS)-6-[(Z)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol.
Chemical Property Profile of Gephyrotoxin
Property Insights of Gephyrotoxin
The XLogP value of 3.36 indicates that Gephyrotoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, Gephyrotoxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gephyrotoxin has 1 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 Gephyrotoxin?
The CAS number of Gephyrotoxin is 75685-48-2.
What is the molecular formula of Gephyrotoxin?
The molecular formula of Gephyrotoxin is C19H29NO.
What is the molecular weight of Gephyrotoxin?
The molecular weight of Gephyrotoxin is 287.22 g/mol.
Where can I buy Gephyrotoxin?
You can request a quote for Gephyrotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gephyrotoxin?
Yes, KEHONG BIO provides custom synthesis services for Gephyrotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.