4-O-Methylphorbol-12,13-diacetate
TL;DR: 4-O-Methylphorbol-12,13-diacetate (CAS 25457-65-2) is a chemical compound with molecular formula C25H34O8 and molecular weight 462.23 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-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate
Also Known As: 4-O-Methylphorbol-12,13-diacetate, KST-1A3195, (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl diacetate, Kaur-16-en-18-oic acid, 15-oxo-, methyl ester, (4a)-, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-7b,9,9a-trihydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-, 9,9a-diacetate, (+)-
| Molecular Formula | C25H34O8 |
|---|---|
| Molecular Weight | 462.23 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.22537 |
| Heavy Atoms | 33 |
| Complexity | 979.0 |
Chemical Identifiers
| CAS Number | 25457-65-2 |
|---|---|
| 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)OC)C)O)OC(=O)C)OC(=O)C |
| InChIKey | JCFQHNGACWXQLL-SUKCUDRDSA-N |
Product Overview
4-O-Methylphorbol-12,13-diacetate (CAS 25457-65-2), with molecular formula C25H34O8 and molecular weight 462.23 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate.
Chemical Property Profile of 4-O-Methylphorbol-12,13-diacetate
Property Insights of 4-O-Methylphorbol-12,13-diacetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-Methylphorbol-12,13-diacetate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-Methylphorbol-12,13-diacetate. Following Lipinski's Rule of Five, 4-O-Methylphorbol-12,13-diacetate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-O-Methylphorbol-12,13-diacetate?
The CAS number of 4-O-Methylphorbol-12,13-diacetate is 25457-65-2.
What is the molecular formula of 4-O-Methylphorbol-12,13-diacetate?
The molecular formula of 4-O-Methylphorbol-12,13-diacetate is C25H34O8.
What is the molecular weight of 4-O-Methylphorbol-12,13-diacetate?
The molecular weight of 4-O-Methylphorbol-12,13-diacetate is 462.23 g/mol.
Where can I buy 4-O-Methylphorbol-12,13-diacetate?
You can request a quote for 4-O-Methylphorbol-12,13-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Methylphorbol-12,13-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Methylphorbol-12,13-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.