12-O-Decanoylphorbol-13-(2-methylbutyrate)
TL;DR: 12-O-Decanoylphorbol-13-(2-methylbutyrate) (CAS 25174-34-9) is a chemical compound with molecular formula C35H54O8 and molecular weight 602.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,6R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylbutanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate
Also Known As: 6-methyl-3'-nitroflavone, 12-O-Decanoylphorbol-13-(2-methylbutyrate), KST-1A3137, (4ar,7bs,8r,9r,9as)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-[(2-methylbutanoyl)oxy]-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-(2-methyl-1-oxobutoxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester
| Molecular Formula | C35H54O8 |
|---|---|
| Molecular Weight | 602.38 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 602.3819 |
| Heavy Atoms | 43 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 25174-34-9 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2(C(C=C(C[C@]3(C2C=C(C3=O)C)O)CO)C4[C@@]1(C4(C)C)OC(=O)C(C)CC)O)C |
| InChIKey | MJYTZOPOHSKFOT-ZAJMFEHASA-N |
Product Overview
12-O-Decanoylphorbol-13-(2-methylbutyrate) (CAS 25174-34-9), with molecular formula C35H54O8 and molecular weight 602.38 g/mol. IUPAC: [(1S,6R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylbutanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate.
Chemical Property Profile of 12-O-Decanoylphorbol-13-(2-methylbutyrate)
Property Insights of 12-O-Decanoylphorbol-13-(2-methylbutyrate)
The XLogP value of 5.8 indicates that 12-O-Decanoylphorbol-13-(2-methylbutyrate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-O-Decanoylphorbol-13-(2-methylbutyrate). Following Lipinski's Rule of Five, 12-O-Decanoylphorbol-13-(2-methylbutyrate) 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 12-O-Decanoylphorbol-13-(2-methylbutyrate)?
The CAS number of 12-O-Decanoylphorbol-13-(2-methylbutyrate) is 25174-34-9.
What is the molecular formula of 12-O-Decanoylphorbol-13-(2-methylbutyrate)?
The molecular formula of 12-O-Decanoylphorbol-13-(2-methylbutyrate) is C35H54O8.
What is the molecular weight of 12-O-Decanoylphorbol-13-(2-methylbutyrate)?
The molecular weight of 12-O-Decanoylphorbol-13-(2-methylbutyrate) is 602.38 g/mol.
Where can I buy 12-O-Decanoylphorbol-13-(2-methylbutyrate)?
You can request a quote for 12-O-Decanoylphorbol-13-(2-methylbutyrate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-O-Decanoylphorbol-13-(2-methylbutyrate)?
Yes, KEHONG BIO provides custom synthesis services for 12-O-Decanoylphorbol-13-(2-methylbutyrate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.