苦亭
TL;DR: 苦亭 (CAS 21416-53-5) is a chemical compound with molecular formula C15H18O7 and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苦亭
1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
Also Known As: picrotin, Picrotin (VAN), Picrotin, analytical standard, Picrotin (from Anamirta cocculus seed), CAS_124-87-8
| Molecular Formula | C15H18O7 |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.10526 |
| Heavy Atoms | 22 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 21416-53-5 |
|---|---|
| SMILES | CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O |
| InChIKey | RYEFFICCPKWYML-UHFFFAOYSA-N |
Product Overview
苦亭 (CAS 21416-53-5), with molecular formula C15H18O7 and molecular weight 310.11 g/mol. IUPAC: 1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione.
Chemical Property Profile of 苦亭
Property Insights of 苦亭
The XLogP value of -0.8 indicates that 苦亭 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 苦亭. Following Lipinski's Rule of Five, 苦亭 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 苦亭?
The CAS number of 苦亭 is 21416-53-5.
What is the molecular formula of 苦亭?
The molecular formula of 苦亭 is C15H18O7.
What is the molecular weight of 苦亭?
The molecular weight of 苦亭 is 310.11 g/mol.
Where can I buy 苦亭?
You can request a quote for 苦亭 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苦亭?
Yes, KEHONG BIO provides custom synthesis services for 苦亭 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.