12-Deoxyphorbol
TL;DR: 12-Deoxyphorbol (CAS 25090-75-9) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,10S,11R,13S,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
Also Known As: 12-Deoxyphorbol, 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-,(1ar,1bs,4ar,7as,7br,8r,9as)-, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b,9a-Trihydroxy-3-(hydroxymethyl)-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, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-Decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one, (1R,2S,6R,10S,11R,13S,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 25090-75-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)O |
| InChIKey | CBDIJHBGVGPIIE-MCDHERAVSA-N |
Product Overview
12-Deoxyphorbol (CAS 25090-75-9), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: (1R,2S,6R,10S,11R,13S,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one.
Chemical Property Profile of 12-Deoxyphorbol
Property Insights of 12-Deoxyphorbol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Deoxyphorbol. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol. Following Lipinski's Rule of Five, 12-Deoxyphorbol has 4 hydrogen bond donor(s) and 5 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 12-Deoxyphorbol?
The CAS number of 12-Deoxyphorbol is 25090-75-9.
What is the molecular formula of 12-Deoxyphorbol?
The molecular formula of 12-Deoxyphorbol is C20H28O5.
What is the molecular weight of 12-Deoxyphorbol?
The molecular weight of 12-Deoxyphorbol is 348.19 g/mol.
Where can I buy 12-Deoxyphorbol?
You can request a quote for 12-Deoxyphorbol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Deoxyphorbol?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.