12-Deoxyphorbol-13-tetradecanoate
TL;DR: 12-Deoxyphorbol-13-tetradecanoate (CAS 53414-26-9) is a chemical compound with molecular formula C34H54O6 and molecular weight 558.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,6R,10S,11R,13S,15R)-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-Deoxyphorbol-13-tetradecanoate, 12-Deoxyphorbol 13-tetradecanoate, Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-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]azulen-9a-ylester, (1aR)-1,1,6,8alpha-Tetramethyl-3-(hydroxymethyl)-5-oxo-1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benz[1,2-e]azulene-4abeta,7balpha,9aalpha-triol 9a-myristate, (1aR,1bS,4aR,7aS,7bR,8R,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]azulen-9a-yl tetradecanoate
| Molecular Formula | C34H54O6 |
|---|---|
| Molecular Weight | 558.39 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 558.392 |
| Heavy Atoms | 40 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 53414-26-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C |
| InChIKey | FDFRQMKAXPLXFL-UZAJRZOCSA-N |
Product Overview
12-Deoxyphorbol-13-tetradecanoate (CAS 53414-26-9), with molecular formula C34H54O6 and molecular weight 558.39 g/mol. IUPAC: [(1R,2S,6R,10S,11R,13S,15R)-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 12-Deoxyphorbol-13-tetradecanoate
Property Insights of 12-Deoxyphorbol-13-tetradecanoate
The XLogP value of 6.9 indicates that 12-Deoxyphorbol-13-tetradecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol-13-tetradecanoate. Following Lipinski's Rule of Five, 12-Deoxyphorbol-13-tetradecanoate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Deoxyphorbol-13-tetradecanoate?
The CAS number of 12-Deoxyphorbol-13-tetradecanoate is 53414-26-9.
What is the molecular formula of 12-Deoxyphorbol-13-tetradecanoate?
The molecular formula of 12-Deoxyphorbol-13-tetradecanoate is C34H54O6.
What is the molecular weight of 12-Deoxyphorbol-13-tetradecanoate?
The molecular weight of 12-Deoxyphorbol-13-tetradecanoate is 558.39 g/mol.
Where can I buy 12-Deoxyphorbol-13-tetradecanoate?
You can request a quote for 12-Deoxyphorbol-13-tetradecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Deoxyphorbol-13-tetradecanoate?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol-13-tetradecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.