Phobol-12-Decanoate
TL;DR: Phobol-12-Decanoate (CAS 76423-68-2) is a chemical compound with molecular formula C30H46O7 and molecular weight 518.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,6R,10S,11R,13S,14R,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
Also Known As: Phobol-12-Decanoate, Sulfinoacetaldehyde, Phobol 12-Decanoate, PHORBOL-12-DECANOATE, Decanoic acid, (1aR,1bS,4aR,7aS,7bR,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester
| Molecular Formula | C30H46O7 |
|---|---|
| Molecular Weight | 518.32 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 518.32434 |
| Heavy Atoms | 37 |
| Complexity | 982.0 |
Chemical Identifiers
| CAS Number | 76423-68-2 |
|---|---|
| SMILES | CCCCCCCCCC(=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)O)O)C |
| InChIKey | LXYSVTVLQYLWKR-NHUQUWQTSA-N |
Product Overview
Phobol-12-Decanoate (CAS 76423-68-2), with molecular formula C30H46O7 and molecular weight 518.32 g/mol. IUPAC: [(1R,2S,6R,10S,11R,13S,14R,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate.
Chemical Property Profile of Phobol-12-Decanoate
Property Insights of Phobol-12-Decanoate
The XLogP value of 3.8 indicates that Phobol-12-Decanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phobol-12-Decanoate. Following Lipinski's Rule of Five, Phobol-12-Decanoate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phobol-12-Decanoate?
The CAS number of Phobol-12-Decanoate is 76423-68-2.
What is the molecular formula of Phobol-12-Decanoate?
The molecular formula of Phobol-12-Decanoate is C30H46O7.
What is the molecular weight of Phobol-12-Decanoate?
The molecular weight of Phobol-12-Decanoate is 518.32 g/mol.
Where can I buy Phobol-12-Decanoate?
You can request a quote for Phobol-12-Decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phobol-12-Decanoate?
Yes, KEHONG BIO provides custom synthesis services for Phobol-12-Decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.