Phorbol 12-acetate 13-tetradecanoate
TL;DR: Phorbol 12-acetate 13-tetradecanoate (CAS 31365-46-5) is a chemical compound with molecular formula C36H56O8 and molecular weight 616.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,11R,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] tetradecanoate
Also Known As: 12-O-Acetylphorbol 13-tetradecanoate, Phorbol 12-acetate 13-tetradecanoate, 13-O-Tetradecanoylphorbol 12-acetate, (1aR,1bS,4aR,7aS,7bS,8R)-9-(acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-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]azulen-9a-yl tetradecanoate, 9-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-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]azulen-9a-yl tetradecanoate
| Molecular Formula | C36H56O8 |
|---|---|
| Molecular Weight | 616.40 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 616.3975 |
| Heavy Atoms | 44 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 31365-46-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OC12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H](C2OC(=O)C)C)O)C=C(C4=O)C)O)CO |
| InChIKey | ZMBSVENNGOCBTK-IJHFAKTKSA-N |
Product Overview
Phorbol 12-acetate 13-tetradecanoate (CAS 31365-46-5), with molecular formula C36H56O8 and molecular weight 616.40 g/mol. IUPAC: [(1S,2S,6R,10S,11R,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] tetradecanoate.
Chemical Property Profile of Phorbol 12-acetate 13-tetradecanoate
Property Insights of Phorbol 12-acetate 13-tetradecanoate
The XLogP value of 6.5 indicates that Phorbol 12-acetate 13-tetradecanoate 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 Phorbol 12-acetate 13-tetradecanoate. Following Lipinski's Rule of Five, Phorbol 12-acetate 13-tetradecanoate 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 Phorbol 12-acetate 13-tetradecanoate?
The CAS number of Phorbol 12-acetate 13-tetradecanoate is 31365-46-5.
What is the molecular formula of Phorbol 12-acetate 13-tetradecanoate?
The molecular formula of Phorbol 12-acetate 13-tetradecanoate is C36H56O8.
What is the molecular weight of Phorbol 12-acetate 13-tetradecanoate?
The molecular weight of Phorbol 12-acetate 13-tetradecanoate is 616.40 g/mol.
Where can I buy Phorbol 12-acetate 13-tetradecanoate?
You can request a quote for Phorbol 12-acetate 13-tetradecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phorbol 12-acetate 13-tetradecanoate?
Yes, KEHONG BIO provides custom synthesis services for Phorbol 12-acetate 13-tetradecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.