4alpha-Phorbol 12-myristate 13-acetate
TL;DR: 4alpha-Phorbol 12-myristate 13-acetate (CAS 63597-44-4) is a chemical compound with molecular formula C36H56O8 and molecular weight 616.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6S,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
Also Known As: 4alpha-PMA, Phorbol ester, 4alpha-TPA, 4alpha-Phorbol 12-myristate 13-acetate, .alpha.-TPA
| Molecular Formula | C36H56O8 |
|---|---|
| Molecular Weight | 616.40 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 616.3975 |
| Heavy Atoms | 44 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 63597-44-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=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]4[C@@]1(C4(C)C)OC(=O)C)O)C |
| InChIKey | PHEDXBVPIONUQT-LQLWEASQSA-N |
Product Overview
4alpha-Phorbol 12-myristate 13-acetate (CAS 63597-44-4), with molecular formula C36H56O8 and molecular weight 616.40 g/mol. IUPAC: [(1S,2S,6S,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate.
Chemical Property Profile of 4alpha-Phorbol 12-myristate 13-acetate
Property Insights of 4alpha-Phorbol 12-myristate 13-acetate
The XLogP value of 6.5 indicates that 4alpha-Phorbol 12-myristate 13-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4alpha-Phorbol 12-myristate 13-acetate. Following Lipinski's Rule of Five, 4alpha-Phorbol 12-myristate 13-acetate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4alpha-Phorbol 12-myristate 13-acetate?
The CAS number of 4alpha-Phorbol 12-myristate 13-acetate is 63597-44-4.
What is the molecular formula of 4alpha-Phorbol 12-myristate 13-acetate?
The molecular formula of 4alpha-Phorbol 12-myristate 13-acetate is C36H56O8.
What is the molecular weight of 4alpha-Phorbol 12-myristate 13-acetate?
The molecular weight of 4alpha-Phorbol 12-myristate 13-acetate is 616.40 g/mol.
Where can I buy 4alpha-Phorbol 12-myristate 13-acetate?
You can request a quote for 4alpha-Phorbol 12-myristate 13-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4alpha-Phorbol 12-myristate 13-acetate?
Yes, KEHONG BIO provides custom synthesis services for 4alpha-Phorbol 12-myristate 13-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.