Pedilstatin
TL;DR: Pedilstatin (CAS 70028-76-1) is a chemical compound with molecular formula C30H40O7 and molecular weight 512.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E)-octa-2,4-dienoate
Also Known As: Pedilstatin, 12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate, 13-O-Acetyl-12-O-(2'Z,4'E-octadienoyl)-4alpha-deoxyphorbol, 4-deoxy-4alpha-phorbol 13-acetate 12-(2Z,4E)-octa-2,4-dienoate, 12-O-2Z-4E- Octadienoyl-4-deoxyphorbol-13-acetate
| Molecular Formula | C30H40O7 |
|---|---|
| Molecular Weight | 512.28 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.2774 |
| Heavy Atoms | 37 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 70028-76-1 |
|---|---|
| SMILES | CCC/C=C/C=C\C(=O)O[C@@H]1[C@H]([C@@]2([C@@H]3C=C(C(=O)[C@@H]3CC(=C[C@H]2[C@H]4[C@@]1(C4(C)C)OC(=O)C)CO)C)O)C |
| InChIKey | ALKHEZOKTHCOBM-GTBZSHDQSA-N |
Product Overview
Pedilstatin (CAS 70028-76-1), with molecular formula C30H40O7 and molecular weight 512.28 g/mol. IUPAC: [(1R,2R,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E)-octa-2,4-dienoate.
Chemical Property Profile of Pedilstatin
Property Insights of Pedilstatin
The XLogP value of 3.5 indicates that Pedilstatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pedilstatin. Following Lipinski's Rule of Five, Pedilstatin has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pedilstatin?
The CAS number of Pedilstatin is 70028-76-1.
What is the molecular formula of Pedilstatin?
The molecular formula of Pedilstatin is C30H40O7.
What is the molecular weight of Pedilstatin?
The molecular weight of Pedilstatin is 512.28 g/mol.
Where can I buy Pedilstatin?
You can request a quote for Pedilstatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pedilstatin?
Yes, KEHONG BIO provides custom synthesis services for Pedilstatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.