12-Deoxyphorbol 13-hexanonate
TL;DR: 12-Deoxyphorbol 13-hexanonate (CAS 92118-02-0) is a chemical compound with molecular formula C26H38O6 and molecular weight 446.27 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-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate
Also Known As: 12-deoxyphorbol 13-hexanonate, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-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]azulen-9a-yl hexanoate, 4a,7b-Dihydroxy-3-(hydroxymethyl)-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]azulen-9a-yl hexanoate, Hexanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9aalpha))-
| Molecular Formula | C26H38O6 |
|---|---|
| Molecular Weight | 446.27 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.26685 |
| Heavy Atoms | 32 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 92118-02-0 |
|---|---|
| SMILES | CCCCCC(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C |
| InChIKey | IMCDKLIANBMDTE-WTTAHTOMSA-N |
Product Overview
12-Deoxyphorbol 13-hexanonate (CAS 92118-02-0), with molecular formula C26H38O6 and molecular weight 446.27 g/mol. IUPAC: [(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate.
Chemical Property Profile of 12-Deoxyphorbol 13-hexanonate
Property Insights of 12-Deoxyphorbol 13-hexanonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Deoxyphorbol 13-hexanonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol 13-hexanonate. Following Lipinski's Rule of Five, 12-Deoxyphorbol 13-hexanonate has 3 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 12-Deoxyphorbol 13-hexanonate?
The CAS number of 12-Deoxyphorbol 13-hexanonate is 92118-02-0.
What is the molecular formula of 12-Deoxyphorbol 13-hexanonate?
The molecular formula of 12-Deoxyphorbol 13-hexanonate is C26H38O6.
What is the molecular weight of 12-Deoxyphorbol 13-hexanonate?
The molecular weight of 12-Deoxyphorbol 13-hexanonate is 446.27 g/mol.
Where can I buy 12-Deoxyphorbol 13-hexanonate?
You can request a quote for 12-Deoxyphorbol 13-hexanonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Deoxyphorbol 13-hexanonate?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol 13-hexanonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.