12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide
TL;DR: 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide (CAS 68165-50-4) is a chemical compound with molecular formula C35H54O9 and molecular weight 618.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[14-acetyloxy-6,11-dihydroxy-4-(hydroxymethyl)-8,15,15-trimethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-13-yl] tetradecanoate
Also Known As: 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide, Tetradecanoic acid, 8a-(acetyloxy)-1a,1b,1c,2a,3,3a,4,6a,6b,7,8,8a-dodecahydro-3a,6b-dihydroxy-2a-(hydroxymethyl)-1,1,5-trimethyl-4-oxo-1H-cyclopropa(5',6')benz(1',2':7,8)azuleno(5,6-b)oxiren-8-yl ester, (1aR-(1aalpha,1bbeta,1calpha,2aalpha,3abeta,6aalpha,6balpha,8beta,8aalpha))-, 8a-(Acetyloxy)-3a,6b-dihydroxy-2a-(hydroxymethyl)-1,1,5-trimethyl-4-oxo-1a,1b,1c,2a,3,3a,4,6a,6b,7,8,8a-dodecahydro-1H-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxiren-8-yl tetradecanoate
| Molecular Formula | C35H54O9 |
|---|---|
| Molecular Weight | 618.38 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 618.3768 |
| Heavy Atoms | 44 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 68165-50-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OC1CC2(C3C=C(C(=O)C3(CC4(C(C2C5C1(C5(C)C)OC(=O)C)O4)CO)O)C)O |
| InChIKey | UDBOJSOQMVNDKS-UHFFFAOYSA-N |
Product Overview
12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide (CAS 68165-50-4), with molecular formula C35H54O9 and molecular weight 618.38 g/mol. IUPAC: [14-acetyloxy-6,11-dihydroxy-4-(hydroxymethyl)-8,15,15-trimethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-13-yl] tetradecanoate.
Chemical Property Profile of 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide
Property Insights of 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide
The XLogP value of 5.8 indicates that 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide has 3 hydrogen bond donor(s) and 9 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-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide?
The CAS number of 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide is 68165-50-4.
What is the molecular formula of 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide?
The molecular formula of 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide is C35H54O9.
What is the molecular weight of 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide?
The molecular weight of 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide is 618.38 g/mol.
Where can I buy 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide?
You can request a quote for 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide?
Yes, KEHONG BIO provides custom synthesis services for 12-O-Tetradecanoylphorbol 13-acetate 6beta,7beta-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.