12-o-Decanoylphorbol-13-acetate
TL;DR: 12-o-Decanoylphorbol-13-acetate (CAS 16561-28-7) 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)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
Also Known As: 12-o-decanoylphorbol-13-acetate, J1.209.555D, (1aR)-9aalpha-Acetoxy-9beta-(decanoyloxy)-1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-4abeta,7balpha-dihydroxy-3-hydroxymethyl-1,1,6,8alpha-tetramethyl-5H-cyclopropa[3,4]benzo[1,2-e]azulen-5-one, (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-14-yl decanoate, [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
| Molecular Formula | C32H48O8 |
|---|---|
| Molecular Weight | 560.33 g/mol |
| LogP | 4.1925 |
| Topological Polar Surface Area | 130.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 560.3349 |
| Heavy Atoms | 40 |
| Complexity | 1090.4736 |
Chemical Identifiers
| CAS Number | 16561-28-7 |
|---|---|
| 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)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C |
Product Overview
12-o-Decanoylphorbol-13-acetate (CAS 16561-28-7), with molecular formula C32H48O8 and molecular weight 560.33 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-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 12-o-Decanoylphorbol-13-acetate
Property Insights of 12-o-Decanoylphorbol-13-acetate
The XLogP value of 4.1925 indicates that 12-o-Decanoylphorbol-13-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-o-Decanoylphorbol-13-acetate. Following Lipinski's Rule of Five, 12-o-Decanoylphorbol-13-acetate 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-Decanoylphorbol-13-acetate?
The CAS number of 12-o-Decanoylphorbol-13-acetate is 16561-28-7.
What is the molecular formula of 12-o-Decanoylphorbol-13-acetate?
The molecular formula of 12-o-Decanoylphorbol-13-acetate is C32H48O8.
What is the molecular weight of 12-o-Decanoylphorbol-13-acetate?
The molecular weight of 12-o-Decanoylphorbol-13-acetate is 560.33 g/mol.
Where can I buy 12-o-Decanoylphorbol-13-acetate?
You can request a quote for 12-o-Decanoylphorbol-13-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-o-Decanoylphorbol-13-acetate?
Yes, KEHONG BIO provides custom synthesis services for 12-o-Decanoylphorbol-13-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.