Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy
TL;DR: Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy (CAS 53202-98-5) is a chemical compound with molecular formula C38H60O9 and molecular weight 660.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,11R,12S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate
Also Known As: Croton factor F1, 12-O-Palmitoyl-16-hydroxyphorbol-13-acetate, 12-O-Hexadecanoyl-16-hydroxyphorbol-13-acetate, PHORBOL-13-ACETATE, 12-O-PALMITOYL-16-HYDROXY, Hexadecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropal(3,4)benz(1,2-e)azulen-9-yl ester
| Molecular Formula | C38H60O9 |
|---|---|
| Molecular Weight | 660.42 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 660.4237 |
| Heavy Atoms | 47 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 53202-98-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=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]4C1([C@]4(C)CO)OC(=O)C)O)C |
| InChIKey | DYHBGVHTKOPQDM-KVQKLZOMSA-N |
Product Overview
Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy (CAS 53202-98-5), with molecular formula C38H60O9 and molecular weight 660.42 g/mol. IUPAC: [(1S,2S,6R,10S,11R,12S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate.
Chemical Property Profile of Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy
Property Insights of Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy
The XLogP value of 6.4 indicates that Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy has 4 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 Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy?
The CAS number of Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy is 53202-98-5.
What is the molecular formula of Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy?
The molecular formula of Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy is C38H60O9.
What is the molecular weight of Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy?
The molecular weight of Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy is 660.42 g/mol.
Where can I buy Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy?
You can request a quote for Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy?
Yes, KEHONG BIO provides custom synthesis services for Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.