4alpha-Phorbol 12,13-dibenzoate
TL;DR: 4alpha-Phorbol 12,13-dibenzoate (CAS 123672-47-9) is a chemical compound with molecular formula C34H36O8 and molecular weight 572.24 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-benzoyloxy-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] benzoate
Also Known As: 4alpha-Phorbol 12,13-dibenzoate, 4-alpha-Phorbol 12,13-dibenzoate, 4-.alpha.-Phorbol 12,13-dibenzoate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9,9a-bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1aa,1bb,4aa,7aa,7ba,8a,9b,9aa))-, [benzoyloxy-dihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] benzoate
| Molecular Formula | C34H36O8 |
|---|---|
| Molecular Weight | 572.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.241 |
| Heavy Atoms | 42 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 123672-47-9 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@@]4(CC(=C3)CO)O)C)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | FQHYQCXMFZHLAE-JSRDOVAZSA-N |
Product Overview
4alpha-Phorbol 12,13-dibenzoate (CAS 123672-47-9), with molecular formula C34H36O8 and molecular weight 572.24 g/mol. IUPAC: [(1S,2S,6S,10S,11R,13S,14R,15R)-13-benzoyloxy-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] benzoate.
Chemical Property Profile of 4alpha-Phorbol 12,13-dibenzoate
Property Insights of 4alpha-Phorbol 12,13-dibenzoate
The XLogP value of 3.6 indicates that 4alpha-Phorbol 12,13-dibenzoate 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 12,13-dibenzoate. Following Lipinski's Rule of Five, 4alpha-Phorbol 12,13-dibenzoate 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 12,13-dibenzoate?
The CAS number of 4alpha-Phorbol 12,13-dibenzoate is 123672-47-9.
What is the molecular formula of 4alpha-Phorbol 12,13-dibenzoate?
The molecular formula of 4alpha-Phorbol 12,13-dibenzoate is C34H36O8.
What is the molecular weight of 4alpha-Phorbol 12,13-dibenzoate?
The molecular weight of 4alpha-Phorbol 12,13-dibenzoate is 572.24 g/mol.
Where can I buy 4alpha-Phorbol 12,13-dibenzoate?
You can request a quote for 4alpha-Phorbol 12,13-dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4alpha-Phorbol 12,13-dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4alpha-Phorbol 12,13-dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.