12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide
TL;DR: 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide (CAS 76095-17-5) is a chemical compound with molecular formula C36H56O9 and molecular weight 632.39 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)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-13-yl] tetradecanoate
Also Known As: 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide, 12-O-Tetradecanoyl-phorbol-13-acetate-6-alpha,7-alpha-epoxide, 4H-Cyclopropa(3,4)benz(1,2-e)oxireno(g)azulen-4-one, 1,1a-alpha,1b-beta,1C-alpha,2a-alpha,3,3a,6a-alpha,6b,7,8,8a-dodecahydro-3a-alpha,6b-alpha,8-beta,8a-alpha-tetrahydroxy-2a-(hydroxymethyl)-1,1,5,7-alpha-tetramethyl-, 8a-acetate 8-myristate, 4H-Cyclopropa(3,4)benz(1,2-e)oxireno(g)azulen-4-one, 1,1a-alpha,1b-beta,1c-beta,2a-beta,3,3a,6a-alpha,6b,7,8,8a-dodecahydro-3a-alpha,6b-alpha,8-beta,8a-alpha-tetrahydroxy-2a-(hydroxymethyl)-1,1,5,7-alpha-tetramethyl-, 8a-acetate 8-myristate, Tetradecanoic acid, 8a-(acetyloxy)-1a,1b,1c,2a,3,3a,4,6a,6b,7,8,8a-dodecahydro-3a,6b-dihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-1H-cyclopropa(5',6')benz(1',2':7,8)azuleno(5,6-b)oxiren-8-yl ester, (1aR-(1aalph,1bbeta,1calph,2aalph,3abeta,6aalpha,6balpha,7alpha,8beta,8aalpha))-
| Molecular Formula | C36H56O9 |
|---|---|
| Molecular Weight | 632.39 g/mol |
| LogP | 4.9641 |
| Topological Polar Surface Area | 142.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 632.39246 |
| Heavy Atoms | 45 |
| Complexity | 1194.9054 |
Chemical Identifiers
| CAS Number | 76095-17-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OC1C(C2(C3C=C(C(=O)C3(CC4(C(C2C5C1(C5(C)C)OC(=O)C)O4)CO)O)C)O)C |
Product Overview
12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide (CAS 76095-17-5), with molecular formula C36H56O9 and molecular weight 632.39 g/mol. IUPAC: [14-acetyloxy-6,11-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-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-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide
Property Insights of 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide
The XLogP value of 4.9641 indicates that 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.89 Ų indicates high polarity, suggesting 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide 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-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide?
The CAS number of 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide is 76095-17-5.
What is the molecular formula of 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide?
The molecular formula of 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide is C36H56O9.
What is the molecular weight of 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide?
The molecular weight of 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide is 632.39 g/mol.
Where can I buy 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide?
You can request a quote for 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide?
Yes, KEHONG BIO provides custom synthesis services for 12-O-Tetradecanoyl-phorbol-13-acetate-6-beta,7-beta-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.