Phorbol 12,13-Dibutyrate
TL;DR: Phorbol 12,13-Dibutyrate (CAS 37558-16-0) is a chemical compound with molecular formula C28H40O8 and molecular weight 504.27 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-butanoyloxy-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] butanoate
Also Known As: Phorbol 12,13-dibutyrate, PDBU, Phorbol dibutyrate, Phorbol 12,13-dibutanoate, Phorbol-12,13-dibutyrate
| Molecular Formula | C28H40O8 |
|---|---|
| Molecular Weight | 504.27 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.2723 |
| Heavy Atoms | 36 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 37558-16-0 |
|---|---|
| SMILES | CCCC(=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)CCC)O)C |
| InChIKey | BQJRUJTZSGYBEZ-YVQNUNKESA-N |
Product Overview
Phorbol 12,13-Dibutyrate (CAS 37558-16-0), with molecular formula C28H40O8 and molecular weight 504.27 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-butanoyloxy-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] butanoate.
Chemical Property Profile of Phorbol 12,13-Dibutyrate
Property Insights of Phorbol 12,13-Dibutyrate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phorbol 12,13-Dibutyrate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phorbol 12,13-Dibutyrate. Following Lipinski's Rule of Five, Phorbol 12,13-Dibutyrate 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-Dibutyrate?
The CAS number of Phorbol 12,13-Dibutyrate is 37558-16-0.
What is the molecular formula of Phorbol 12,13-Dibutyrate?
The molecular formula of Phorbol 12,13-Dibutyrate is C28H40O8.
What is the molecular weight of Phorbol 12,13-Dibutyrate?
The molecular weight of Phorbol 12,13-Dibutyrate is 504.27 g/mol.
Where can I buy Phorbol 12,13-Dibutyrate?
You can request a quote for Phorbol 12,13-Dibutyrate 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-Dibutyrate?
Yes, KEHONG BIO provides custom synthesis services for Phorbol 12,13-Dibutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.