Phorbol 12,13-dihexanoate
TL;DR: Phorbol 12,13-dihexanoate (CAS 37558-17-1) 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.
[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, Phorbol 12, 13-Dihexanoate, 14-(hexanoyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-13-yl hexanoate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha-1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-, 9,9a-dihexanoate
| 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 | 37558-17-1 |
|---|---|
| SMILES | CCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCCCC)O)C |
| InChIKey | XGPRSRGBAHBMAF-UHFFFAOYSA-N |
Product Overview
Phorbol 12,13-dihexanoate (CAS 37558-17-1), with molecular formula C32H48O8 and molecular weight 560.33 g/mol. IUPAC: [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 37558-17-1.
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.