Picrotoxinin, alpha-dihydro-, acetate
TL;DR: Picrotoxinin, alpha-dihydro-, acetate (CAS 5410-98-0) is a chemical compound with molecular formula C17H20O7 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13-methyl-6,11-dioxo-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecan-1-yl) acetate
Also Known As: alpha-Dihydropicrotoxinin acetate, Picrotoxinin, alpha-dihydro-, acetate, 4-19-00-05191 (Beilstein Handbook Reference), 8b-methyl-4,8-dioxo-9-(propan-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulen-2a(6h)-yl acetate, 8b-Methyl-4,8-dioxo-9-(propan-2-yl)hexahydro-8H-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulen-2a(6H)-yl acetate
| Molecular Formula | C17H20O7 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.1209 |
| Heavy Atoms | 24 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 5410-98-0 |
|---|---|
| SMILES | CC(C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)OC(=O)C)C |
| InChIKey | KTUYHVICIONRJN-UHFFFAOYSA-N |
Product Overview
Picrotoxinin, alpha-dihydro-, acetate (CAS 5410-98-0), with molecular formula C17H20O7 and molecular weight 336.12 g/mol. IUPAC: (13-methyl-6,11-dioxo-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecan-1-yl) acetate.
Chemical Property Profile of Picrotoxinin, alpha-dihydro-, acetate
Property Insights of Picrotoxinin, alpha-dihydro-, acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picrotoxinin, alpha-dihydro-, acetate. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Picrotoxinin, alpha-dihydro-, acetate. Following Lipinski's Rule of Five, Picrotoxinin, alpha-dihydro-, acetate has 0 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 Picrotoxinin, alpha-dihydro-, acetate?
The CAS number of Picrotoxinin, alpha-dihydro-, acetate is 5410-98-0.
What is the molecular formula of Picrotoxinin, alpha-dihydro-, acetate?
The molecular formula of Picrotoxinin, alpha-dihydro-, acetate is C17H20O7.
What is the molecular weight of Picrotoxinin, alpha-dihydro-, acetate?
The molecular weight of Picrotoxinin, alpha-dihydro-, acetate is 336.12 g/mol.
Where can I buy Picrotoxinin, alpha-dihydro-, acetate?
You can request a quote for Picrotoxinin, alpha-dihydro-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picrotoxinin, alpha-dihydro-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Picrotoxinin, alpha-dihydro-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.