4-O-methyl-phorbol-12,13-didecanoate
TL;DR: 4-O-methyl-phorbol-12,13-didecanoate (CAS 54870-24-5) is a chemical compound with molecular formula C41H66O8 and molecular weight 686.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
Also Known As: 4-O-MePdd, Zinc toluate, 4-O-Methyl-phorbol-12,13-didecanoate, KST-1A6084, (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl didecanoate
| Molecular Formula | C41H66O8 |
|---|---|
| Molecular Weight | 686.48 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Exact Mass | 686.47577 |
| Heavy Atoms | 49 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 54870-24-5 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)OC)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCCCCCCCC)O)C |
| InChIKey | AHKHBDVQPGMKAE-VHVPOSMNSA-N |
Product Overview
4-O-methyl-phorbol-12,13-didecanoate (CAS 54870-24-5), with molecular formula C41H66O8 and molecular weight 686.48 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate.
Chemical Property Profile of 4-O-methyl-phorbol-12,13-didecanoate
Property Insights of 4-O-methyl-phorbol-12,13-didecanoate
The XLogP value of 9.0 indicates that 4-O-methyl-phorbol-12,13-didecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-methyl-phorbol-12,13-didecanoate. Following Lipinski's Rule of Five, 4-O-methyl-phorbol-12,13-didecanoate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-O-methyl-phorbol-12,13-didecanoate?
The CAS number of 4-O-methyl-phorbol-12,13-didecanoate is 54870-24-5.
What is the molecular formula of 4-O-methyl-phorbol-12,13-didecanoate?
The molecular formula of 4-O-methyl-phorbol-12,13-didecanoate is C41H66O8.
What is the molecular weight of 4-O-methyl-phorbol-12,13-didecanoate?
The molecular weight of 4-O-methyl-phorbol-12,13-didecanoate is 686.48 g/mol.
Where can I buy 4-O-methyl-phorbol-12,13-didecanoate?
You can request a quote for 4-O-methyl-phorbol-12,13-didecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-methyl-phorbol-12,13-didecanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-methyl-phorbol-12,13-didecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.