12-O-Dodecanoylphorbol 13-acetate
TL;DR: 12-O-Dodecanoylphorbol 13-acetate (CAS 16844-64-7) is a chemical compound with molecular formula C34H52O8 and molecular weight 588.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,6R,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] dodecanoate
Also Known As: 12-O-Dodecanoylphorbol 13-acetate, 12-O-Dodecanoylphorbol (13)-acetate, Dodecanoic acid, ester with (1alphaR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9alpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one acetate, (1aR,4aR,7bS,8R,9R,9aS)-9a-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl dodecanoate, 9a-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl dodecanoate
| Molecular Formula | C34H52O8 |
|---|---|
| Molecular Weight | 588.37 g/mol |
| LogP | 4.9727 |
| Topological Polar Surface Area | 130.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 588.3662 |
| Heavy Atoms | 42 |
| Complexity | 1122.5758 |
Chemical Identifiers
| CAS Number | 16844-64-7 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2(C(C=C(C[C@]3(C2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C |
Product Overview
12-O-Dodecanoylphorbol 13-acetate (CAS 16844-64-7), with molecular formula C34H52O8 and molecular weight 588.37 g/mol. IUPAC: [(1S,6R,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] dodecanoate.
Chemical Property Profile of 12-O-Dodecanoylphorbol 13-acetate
Property Insights of 12-O-Dodecanoylphorbol 13-acetate
The XLogP value of 4.9727 indicates that 12-O-Dodecanoylphorbol 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-Dodecanoylphorbol 13-acetate. Following Lipinski's Rule of Five, 12-O-Dodecanoylphorbol 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-Dodecanoylphorbol 13-acetate?
The CAS number of 12-O-Dodecanoylphorbol 13-acetate is 16844-64-7.
What is the molecular formula of 12-O-Dodecanoylphorbol 13-acetate?
The molecular formula of 12-O-Dodecanoylphorbol 13-acetate is C34H52O8.
What is the molecular weight of 12-O-Dodecanoylphorbol 13-acetate?
The molecular weight of 12-O-Dodecanoylphorbol 13-acetate is 588.37 g/mol.
Where can I buy 12-O-Dodecanoylphorbol 13-acetate?
You can request a quote for 12-O-Dodecanoylphorbol 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-Dodecanoylphorbol 13-acetate?
Yes, KEHONG BIO provides custom synthesis services for 12-O-Dodecanoylphorbol 13-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.