Phorbol 12,13-ditetradecanoate
TL;DR: Phorbol 12,13-ditetradecanoate (CAS 43171-49-9) is a chemical compound with molecular formula C48H80O8 and molecular weight 784.59 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)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetradecanoyloxy-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
Also Known As: Phorbol 12,13-ditetradecanoate, Phorbol 12,13-dimyristate, KST-1A4835, (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-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]azulene-9,9a-diyl ditetradecanoate, Tetradecanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulene-9,9a-diyl ester, (1ar-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-beta,8-alpha,9-beta,9a-alpha))-
| Molecular Formula | C48H80O8 |
|---|---|
| Molecular Weight | 784.59 g/mol |
| LogP | 12.8 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 29 |
| Exact Mass | 784.5853 |
| Heavy Atoms | 56 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 43171-49-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=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)CCCCCCCCCCCCC)O)C |
| InChIKey | BIJXAQUZVQLIKU-NIZXKDGZSA-N |
Product Overview
Phorbol 12,13-ditetradecanoate (CAS 43171-49-9), with molecular formula C48H80O8 and molecular weight 784.59 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetradecanoyloxy-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate.
Chemical Property Profile of Phorbol 12,13-ditetradecanoate
Property Insights of Phorbol 12,13-ditetradecanoate
The XLogP value of 12.8 indicates that Phorbol 12,13-ditetradecanoate 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 12,13-ditetradecanoate. Following Lipinski's Rule of Five, Phorbol 12,13-ditetradecanoate 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 12,13-ditetradecanoate?
The CAS number of Phorbol 12,13-ditetradecanoate is 43171-49-9.
What is the molecular formula of Phorbol 12,13-ditetradecanoate?
The molecular formula of Phorbol 12,13-ditetradecanoate is C48H80O8.
What is the molecular weight of Phorbol 12,13-ditetradecanoate?
The molecular weight of Phorbol 12,13-ditetradecanoate is 784.59 g/mol.
Where can I buy Phorbol 12,13-ditetradecanoate?
You can request a quote for Phorbol 12,13-ditetradecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phorbol 12,13-ditetradecanoate?
Yes, KEHONG BIO provides custom synthesis services for Phorbol 12,13-ditetradecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.