Phobol-13-Decanoate
TL;DR: Phobol-13-Decanoate (CAS 76423-69-3) is a chemical compound with molecular formula C29H44O7 and molecular weight 504.31 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)-1,6,14-trihydroxy-8-(hydroxymethyl)-4,12,12-trimethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
Also Known As: Phobol-13-Decanoate, PHORBOL-13-DECANOATE, Decanoic acid,(1aR,1bS,4aR,7aS,7bR,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6-trimethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, (1aR,1bS,4aR,7aS,7bR,9R,9aS)-4a,7b,9-Trihydroxy-3-(hydroxymethyl)-1,1,6-trimethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl decanoate, 4a,7b,9-Trihydroxy-3-(hydroxymethyl)-1,1,6-trimethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl decanoate
| Molecular Formula | C29H44O7 |
|---|---|
| Molecular Weight | 504.31 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 504.30872 |
| Heavy Atoms | 36 |
| Complexity | 951.0 |
Chemical Identifiers
| CAS Number | 76423-69-3 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O[C@@]12[C@@H](C[C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)O |
| InChIKey | FEBWDDCKONYTGP-WJFZTBIQSA-N |
Product Overview
Phobol-13-Decanoate (CAS 76423-69-3), with molecular formula C29H44O7 and molecular weight 504.31 g/mol. IUPAC: [(1R,2S,6R,10S,11R,13S,14R)-1,6,14-trihydroxy-8-(hydroxymethyl)-4,12,12-trimethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate.
Chemical Property Profile of Phobol-13-Decanoate
Property Insights of Phobol-13-Decanoate
The XLogP value of 3.4 indicates that Phobol-13-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-13-Decanoate. Following Lipinski's Rule of Five, Phobol-13-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-13-Decanoate?
The CAS number of Phobol-13-Decanoate is 76423-69-3.
What is the molecular formula of Phobol-13-Decanoate?
The molecular formula of Phobol-13-Decanoate is C29H44O7.
What is the molecular weight of Phobol-13-Decanoate?
The molecular weight of Phobol-13-Decanoate is 504.31 g/mol.
Where can I buy Phobol-13-Decanoate?
You can request a quote for Phobol-13-Decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phobol-13-Decanoate?
Yes, KEHONG BIO provides custom synthesis services for Phobol-13-Decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.