13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate
TL;DR: 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate (CAS 250268-53-2) is a chemical compound with molecular formula C40H60O8 and molecular weight 668.43 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-acetyloxy-1,6,14-trihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl (9Z,12Z)-octadeca-9,12-dienoate
Also Known As: 13-O-Acetylphorbol-20-linoleate, 13-0-Acetylphorbol-20-linoleate, 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate, J1.173.769B, 9,12-Octadecadienoic acid (9Z,12Z)-, ((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9-trihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-3-yl)methyl ester
| Molecular Formula | C40H60O8 |
|---|---|
| Molecular Weight | 668.43 g/mol |
| LogP | 6.8653 |
| Topological Polar Surface Area | 130.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 668.42883 |
| Heavy Atoms | 48 |
| Complexity | 1307.8137 |
Chemical Identifiers
| CAS Number | 250268-53-2 |
|---|---|
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC1=C[C@H]2[C@H]3[C@](C3(C)C)([C@@H]([C@H]([C@@]2([C@@H]4C=C(C(=O)[C@]4(C1)O)C)O)C)O)OC(=O)C |
Product Overview
13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate (CAS 250268-53-2), with molecular formula C40H60O8 and molecular weight 668.43 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6,14-trihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl (9Z,12Z)-octadeca-9,12-dienoate.
Chemical Property Profile of 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate
Property Insights of 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate
The XLogP value of 6.8653 indicates that 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate. Following Lipinski's Rule of Five, 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate 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 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate?
The CAS number of 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate is 250268-53-2.
What is the molecular formula of 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate?
The molecular formula of 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate is C40H60O8.
What is the molecular weight of 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate?
The molecular weight of 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate is 668.43 g/mol.
Where can I buy 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate?
You can request a quote for 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate?
Yes, KEHONG BIO provides custom synthesis services for 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.