蜂斗菜毒素(共轭酸)
TL;DR: 蜂斗菜毒素(共轭酸) (CAS 60132-19-6) is a chemical compound with molecular formula C19H28NO7+ and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蜂斗菜毒素(共轭酸)
7,17-dihydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
Also Known As: Fukinotoxin, PETASITENINE, Fukinotoxin (conjugate acid), 8,12-dihydroxy-4-methyl-11,16-dioxo-15,20-dihydro-15,20-epoxysenecionan-4-ium, Senecionanium, 15,20-epoxy-15,20-dihydro-8,12-dihydroxy-4-methyl-11,16-dioxo-, (15.beta.,20R)-
| Molecular Formula | C19H28NO7+ |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 382.18658 |
| Heavy Atoms | 27 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 60132-19-6 |
|---|---|
| SMILES | CC1CC2(C(O2)C)C(=O)OC3CC[N+]4(C3(C(=CC4)COC(=O)C1(C)O)O)C |
| InChIKey | FDEKCTMQCUNCFJ-UHFFFAOYSA-N |
Product Overview
蜂斗菜毒素(共轭酸) (CAS 60132-19-6), with molecular formula C19H28NO7+ and molecular weight 382.19 g/mol. IUPAC: 7,17-dihydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione.
Chemical Property Profile of 蜂斗菜毒素(共轭酸)
Property Insights of 蜂斗菜毒素(共轭酸)
The XLogP value of -0.5 indicates that 蜂斗菜毒素(共轭酸) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 蜂斗菜毒素(共轭酸). Following Lipinski's Rule of Five, 蜂斗菜毒素(共轭酸) has 2 hydrogen bond donor(s) and 7 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 蜂斗菜毒素(共轭酸)?
The CAS number of 蜂斗菜毒素(共轭酸) is 60132-19-6.
What is the molecular formula of 蜂斗菜毒素(共轭酸)?
The molecular formula of 蜂斗菜毒素(共轭酸) is C19H28NO7+.
What is the molecular weight of 蜂斗菜毒素(共轭酸)?
The molecular weight of 蜂斗菜毒素(共轭酸) is 382.19 g/mol.
Where can I buy 蜂斗菜毒素(共轭酸)?
You can request a quote for 蜂斗菜毒素(共轭酸) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蜂斗菜毒素(共轭酸)?
Yes, KEHONG BIO provides custom synthesis services for 蜂斗菜毒素(共轭酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.