12-O-acetylphorbol-13-decanoate
TL;DR: 12-O-acetylphorbol-13-decanoate (CAS 28878-88-8) is a chemical compound with molecular formula C32H48O8 and molecular weight 560.33 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)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
Also Known As: ster, Phorbol acetate, caprate, Phorbol acetate caprate, 12-o-acetylphorbol-13-decanoate, Phorbol 12-acetate 13-decanoate
| Molecular Formula | C32H48O8 |
|---|---|
| Molecular Weight | 560.33 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 560.3349 |
| Heavy Atoms | 40 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 28878-88-8 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H]([C@H]2OC(=O)C)C)O)C=C(C4=O)C)O)CO |
| InChIKey | CSJWNHJJHIAAIG-SVOQZPEWSA-N |
Product Overview
12-O-acetylphorbol-13-decanoate (CAS 28878-88-8), with molecular formula C32H48O8 and molecular weight 560.33 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate.
Chemical Property Profile of 12-O-acetylphorbol-13-decanoate
Property Insights of 12-O-acetylphorbol-13-decanoate
The XLogP value of 4.4 indicates that 12-O-acetylphorbol-13-decanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-O-acetylphorbol-13-decanoate. Following Lipinski's Rule of Five, 12-O-acetylphorbol-13-decanoate has 3 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 12-O-acetylphorbol-13-decanoate?
The CAS number of 12-O-acetylphorbol-13-decanoate is 28878-88-8.
What is the molecular formula of 12-O-acetylphorbol-13-decanoate?
The molecular formula of 12-O-acetylphorbol-13-decanoate is C32H48O8.
What is the molecular weight of 12-O-acetylphorbol-13-decanoate?
The molecular weight of 12-O-acetylphorbol-13-decanoate is 560.33 g/mol.
Where can I buy 12-O-acetylphorbol-13-decanoate?
You can request a quote for 12-O-acetylphorbol-13-decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-O-acetylphorbol-13-decanoate?
Yes, KEHONG BIO provides custom synthesis services for 12-O-acetylphorbol-13-decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.