beta-Picrotoxinic acid, methyl ester
TL;DR: beta-Picrotoxinic acid, methyl ester (CAS 5410-92-4) is a chemical compound with molecular formula C16H20O7 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 14-hydroxy-2,9,9-trimethyl-12-oxo-4,8,13-trioxapentacyclo[8.3.1.02,7.03,5.07,11]tetradecane-3-carboxylate
Also Known As: Methyl-beta-picrotoxinate, beta-Picrotoxinic acid, methyl ester, 4-19-00-05375 (Beilstein Handbook Reference), methyl 9-hydroxy-2,2,6a-trimethyl-4-oxooctahydro-6bh-3,6-methanofuro[3,2-c]oxireno[3,4]cyclopenta[1,2-d]pyran-6b-carboxylate, BRN 0048503
| Molecular Formula | C16H20O7 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.1209 |
| Heavy Atoms | 23 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 5410-92-4 |
|---|---|
| SMILES | CC1(C2C(C3C4(C(C2C(=O)O3)(O1)CC5C4(O5)C(=O)OC)C)O)C |
| InChIKey | ZBXZKQNMMFSPCV-UHFFFAOYSA-N |
Product Overview
beta-Picrotoxinic acid, methyl ester (CAS 5410-92-4), with molecular formula C16H20O7 and molecular weight 324.12 g/mol. IUPAC: methyl 14-hydroxy-2,9,9-trimethyl-12-oxo-4,8,13-trioxapentacyclo[8.3.1.02,7.03,5.07,11]tetradecane-3-carboxylate.
Chemical Property Profile of beta-Picrotoxinic acid, methyl ester
Property Insights of beta-Picrotoxinic acid, methyl ester
The XLogP value of -0.3 indicates that beta-Picrotoxinic acid, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Picrotoxinic acid, methyl ester. Following Lipinski's Rule of Five, beta-Picrotoxinic acid, methyl ester has 1 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 beta-Picrotoxinic acid, methyl ester?
The CAS number of beta-Picrotoxinic acid, methyl ester is 5410-92-4.
What is the molecular formula of beta-Picrotoxinic acid, methyl ester?
The molecular formula of beta-Picrotoxinic acid, methyl ester is C16H20O7.
What is the molecular weight of beta-Picrotoxinic acid, methyl ester?
The molecular weight of beta-Picrotoxinic acid, methyl ester is 324.12 g/mol.
Where can I buy beta-Picrotoxinic acid, methyl ester?
You can request a quote for beta-Picrotoxinic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Picrotoxinic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Picrotoxinic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.