dihydropicrotoxinin
TL;DR: dihydropicrotoxinin (CAS 17617-46-8) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8S,12S,13R)-1-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
Also Known As: dihydropicrotoxinin, alpha-Dihydropicrotoxinin, Picrotoxinin, alpha-dihydro-, KST-1A2127, (2ar,3s,6as,8br)-2a-hydroxy-8b-methyl-9-(propan-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3h)-dione
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 17617-46-8 |
|---|---|
| SMILES | CC(C)C1[C@@H]2C(=O)OC1[C@@H]3[C@@]4([C@]2(CC5C4(O5)C(=O)O3)O)C |
| InChIKey | SJSFJVFGSPJGET-KJINDDCRSA-N |
Product Overview
dihydropicrotoxinin (CAS 17617-46-8), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: (1R,8S,12S,13R)-1-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione.
Chemical Property Profile of dihydropicrotoxinin
Property Insights of dihydropicrotoxinin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dihydropicrotoxinin. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for dihydropicrotoxinin. Following Lipinski's Rule of Five, dihydropicrotoxinin has 1 hydrogen bond donor(s) and 6 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 dihydropicrotoxinin?
The CAS number of dihydropicrotoxinin is 17617-46-8.
What is the molecular formula of dihydropicrotoxinin?
The molecular formula of dihydropicrotoxinin is C15H18O6.
What is the molecular weight of dihydropicrotoxinin?
The molecular weight of dihydropicrotoxinin is 294.11 g/mol.
Where can I buy dihydropicrotoxinin?
You can request a quote for dihydropicrotoxinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dihydropicrotoxinin?
Yes, KEHONG BIO provides custom synthesis services for dihydropicrotoxinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.