12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol
TL;DR: 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol (CAS 70028-77-2) is a chemical compound with molecular formula C28H38O6 and molecular weight 470.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,6R,10S,11R,13S,14R,15R)-1,13-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E)-octa-2,4-dienoate
Also Known As: 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol, 2,4-Octadienoic acid, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b,9a-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4aalpha,7aalpha,7balpha,8alpha,9beta(2Z,4E),9aalpha))-
| Molecular Formula | C28H38O6 |
|---|---|
| Molecular Weight | 470.27 g/mol |
| LogP | 3.2786 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.26685 |
| Heavy Atoms | 34 |
| Complexity | 986.8554 |
Chemical Identifiers
| CAS Number | 70028-77-2 |
|---|---|
| SMILES | CCC/C=C/C=C\C(=O)O[C@@H]1[C@H]([C@@]2([C@@H]3C=C(C(=O)[C@@H]3CC(=C[C@H]2[C@H]4[C@@]1(C4(C)C)O)CO)C)O)C |
Product Overview
12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol (CAS 70028-77-2), with molecular formula C28H38O6 and molecular weight 470.27 g/mol. IUPAC: [(1R,2R,6R,10S,11R,13S,14R,15R)-1,13-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E)-octa-2,4-dienoate.
Chemical Property Profile of 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol
Property Insights of 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol
The XLogP value of 3.2786 indicates that 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol. Following Lipinski's Rule of Five, 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol?
The CAS number of 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol is 70028-77-2.
What is the molecular formula of 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol?
The molecular formula of 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol is C28H38O6.
What is the molecular weight of 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol?
The molecular weight of 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol is 470.27 g/mol.
Where can I buy 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol?
You can request a quote for 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol?
Yes, KEHONG BIO provides custom synthesis services for 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.