Phorbol-12,13-dihexanoate
TL;DR: Phorbol-12,13-dihexanoate (CAS 4316-74-9) is a chemical compound with molecular formula C32H48O8 and molecular weight 560.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-hexanoyloxy-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] hexanoate
Also Known As: Phorbol-12,13-dihexanoate, Phorbol 12,13-dihexanoate, KST-1A4834, (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dihexanoate, [(1S,2S,6R,10S,11R,13S,14R,15R)-13-hexanoyloxy-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] hexanoate
| Molecular Formula | C32H48O8 |
|---|---|
| Molecular Weight | 560.33 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 560.3349 |
| Heavy Atoms | 40 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 4316-74-9 |
|---|---|
| SMILES | CCCCCC(=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)CCCCC)O)C |
| InChIKey | XGPRSRGBAHBMAF-NQWCLMGHSA-N |
Product Overview
Phorbol-12,13-dihexanoate (CAS 4316-74-9), with molecular formula C32H48O8 and molecular weight 560.33 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-hexanoyloxy-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] hexanoate.
Chemical Property Profile of Phorbol-12,13-dihexanoate
Property Insights of Phorbol-12,13-dihexanoate
The XLogP value of 4.1 indicates that Phorbol-12,13-dihexanoate 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 Phorbol-12,13-dihexanoate. Following Lipinski's Rule of Five, Phorbol-12,13-dihexanoate 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 Phorbol-12,13-dihexanoate?
The CAS number of Phorbol-12,13-dihexanoate is 4316-74-9.
What is the molecular formula of Phorbol-12,13-dihexanoate?
The molecular formula of Phorbol-12,13-dihexanoate is C32H48O8.
What is the molecular weight of Phorbol-12,13-dihexanoate?
The molecular weight of Phorbol-12,13-dihexanoate is 560.33 g/mol.
Where can I buy Phorbol-12,13-dihexanoate?
You can request a quote for Phorbol-12,13-dihexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phorbol-12,13-dihexanoate?
Yes, KEHONG BIO provides custom synthesis services for Phorbol-12,13-dihexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.