12-Deoxyphorbol-13-angelate-20-acetate
TL;DR: 12-Deoxyphorbol-13-angelate-20-acetate (CAS 65700-59-6) is a chemical compound with molecular formula C27H36O7 and molecular weight 472.25 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)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (Z)-2-methylbut-2-enoate
Also Known As: 12-DPAA, 12-Deoxyphorbol-13-angelate-20-acetate, 12-DEOXYPHORBOL 13-ANGELATE 20-ACETATE, 12-Deoxyphorbol-13-tiglate-20-acetate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9a-beta-trihydroxy-3-acetoxymethyl-1,1,6,8-beta-tetramethyl-, 9-((Z)-2-methylbutenate)
| Molecular Formula | C27H36O7 |
|---|---|
| Molecular Weight | 472.25 g/mol |
| LogP | 3.0472 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.2461 |
| Heavy Atoms | 34 |
| Complexity | 1049.1968 |
Chemical Identifiers
| CAS Number | 65700-59-6 |
|---|---|
| SMILES | C/C=C(/C)\C(=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)COC(=O)C)O)C |
Product Overview
12-Deoxyphorbol-13-angelate-20-acetate (CAS 65700-59-6), with molecular formula C27H36O7 and molecular weight 472.25 g/mol. IUPAC: [(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of 12-Deoxyphorbol-13-angelate-20-acetate
Property Insights of 12-Deoxyphorbol-13-angelate-20-acetate
The XLogP value of 3.0472 indicates that 12-Deoxyphorbol-13-angelate-20-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol-13-angelate-20-acetate. Following Lipinski's Rule of Five, 12-Deoxyphorbol-13-angelate-20-acetate has 2 hydrogen bond donor(s) and 7 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-angelate-20-acetate?
The CAS number of 12-Deoxyphorbol-13-angelate-20-acetate is 65700-59-6.
What is the molecular formula of 12-Deoxyphorbol-13-angelate-20-acetate?
The molecular formula of 12-Deoxyphorbol-13-angelate-20-acetate is C27H36O7.
What is the molecular weight of 12-Deoxyphorbol-13-angelate-20-acetate?
The molecular weight of 12-Deoxyphorbol-13-angelate-20-acetate is 472.25 g/mol.
Where can I buy 12-Deoxyphorbol-13-angelate-20-acetate?
You can request a quote for 12-Deoxyphorbol-13-angelate-20-acetate 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-angelate-20-acetate?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol-13-angelate-20-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.