4-O-Methyl-phorbol
TL;DR: 4-O-Methyl-phorbol (CAS 92870-46-7) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 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)-1,13,14-trihydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
Also Known As: 4-O-Methyl-phorbol, KST-1A8961, (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-7b,9,9a-trihydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5h-cyclopropa[3,4]benzo[1,2-e]azulen-5-one, 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-, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-7b,9,9a-Trihydroxy-3-hydroxymethyl-4a-methoxy-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-cyclopropa[3,4]benzo[1,2-e]azulen-5-one
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 92870-46-7 |
|---|---|
| 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)O)O |
| InChIKey | NIEVDVYOWOVGKX-NHGGRVHRSA-N |
Product Overview
4-O-Methyl-phorbol (CAS 92870-46-7), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: (1S,2S,6R,10S,11R,13S,14R,15R)-1,13,14-trihydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one.
Chemical Property Profile of 4-O-Methyl-phorbol
Property Insights of 4-O-Methyl-phorbol
The XLogP value of -0.3 indicates that 4-O-Methyl-phorbol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-Methyl-phorbol. Following Lipinski's Rule of Five, 4-O-Methyl-phorbol has 4 hydrogen bond donor(s) and 6 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-Methyl-phorbol?
The CAS number of 4-O-Methyl-phorbol is 92870-46-7.
What is the molecular formula of 4-O-Methyl-phorbol?
The molecular formula of 4-O-Methyl-phorbol is C21H30O6.
What is the molecular weight of 4-O-Methyl-phorbol?
The molecular weight of 4-O-Methyl-phorbol is 378.20 g/mol.
Where can I buy 4-O-Methyl-phorbol?
You can request a quote for 4-O-Methyl-phorbol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Methyl-phorbol?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Methyl-phorbol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.