Phorbol, diacetyl-12-octadienoyl-4-deoxy-
TL;DR: Phorbol, diacetyl-12-octadienoyl-4-deoxy- (CAS 71906-58-6) is a chemical compound with molecular formula C32H42O8 and molecular weight 554.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,6S,10S,11R,13S,14R,15R)-13-acetyloxy-8-(acetyloxymethyl)-1-hydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E)-octa-2,4-dienoate
Also Known As: PHORBOL, DIACETYL-12-OCTADIENOYL-4-DEOXY-, 2,9-cd]pyrazol-6(2H)-one, 5-[[2-(diethylamino)ethyl]amino]-2-[2-[(2-hydroxyethyl)amino]ethyl]-, dihydrochloride',3':3,4]pyrrolo[1,2-a]indol-6-yl]amino]-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-2-onechloride (1:1))-idenosyl]-, (E)-e (1:1)er9)
| Molecular Formula | C32H42O8 |
|---|---|
| Molecular Weight | 554.29 g/mol |
| LogP | 4.4202 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 554.28796 |
| Heavy Atoms | 40 |
| Complexity | 1205.1606 |
Chemical Identifiers
| CAS Number | 71906-58-6 |
|---|---|
| SMILES | CCC/C=C/C=C\C(=O)O[C@@H]1[C@H]([C@@]2([C@@H]3C=C(C(=O)[C@H]3CC(=C[C@H]2[C@H]4[C@@]1(C4(C)C)OC(=O)C)COC(=O)C)C)O)C |
Product Overview
Phorbol, diacetyl-12-octadienoyl-4-deoxy- (CAS 71906-58-6), with molecular formula C32H42O8 and molecular weight 554.29 g/mol. IUPAC: [(1R,2R,6S,10S,11R,13S,14R,15R)-13-acetyloxy-8-(acetyloxymethyl)-1-hydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E)-octa-2,4-dienoate.
Chemical Property Profile of Phorbol, diacetyl-12-octadienoyl-4-deoxy-
Property Insights of Phorbol, diacetyl-12-octadienoyl-4-deoxy-
The XLogP value of 4.4202 indicates that Phorbol, diacetyl-12-octadienoyl-4-deoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phorbol, diacetyl-12-octadienoyl-4-deoxy-. Following Lipinski's Rule of Five, Phorbol, diacetyl-12-octadienoyl-4-deoxy- has 1 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, diacetyl-12-octadienoyl-4-deoxy-?
The CAS number of Phorbol, diacetyl-12-octadienoyl-4-deoxy- is 71906-58-6.
What is the molecular formula of Phorbol, diacetyl-12-octadienoyl-4-deoxy-?
The molecular formula of Phorbol, diacetyl-12-octadienoyl-4-deoxy- is C32H42O8.
What is the molecular weight of Phorbol, diacetyl-12-octadienoyl-4-deoxy-?
The molecular weight of Phorbol, diacetyl-12-octadienoyl-4-deoxy- is 554.29 g/mol.
Where can I buy Phorbol, diacetyl-12-octadienoyl-4-deoxy-?
You can request a quote for Phorbol, diacetyl-12-octadienoyl-4-deoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phorbol, diacetyl-12-octadienoyl-4-deoxy-?
Yes, KEHONG BIO provides custom synthesis services for Phorbol, diacetyl-12-octadienoyl-4-deoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.