12-Deoxyphorbol-13-nonenoate-20-acetate
TL;DR: 12-Deoxyphorbol-13-nonenoate-20-acetate (CAS 74486-15-0) is a chemical compound with molecular formula C31H44O7 and molecular weight 528.31 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] (E)-non-2-enoate
Also Known As: 12-Deoxyphorbol-13-nonenoate-20-acetate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 3-acetate 9a-nonenoate
| Molecular Formula | C31H44O7 |
|---|---|
| Molecular Weight | 528.31 g/mol |
| LogP | 4.6076 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.3087 |
| Heavy Atoms | 38 |
| Complexity | 1083.7861 |
Chemical Identifiers
| CAS Number | 74486-15-0 |
|---|---|
| SMILES | CCCCCC/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-nonenoate-20-acetate (CAS 74486-15-0), with molecular formula C31H44O7 and molecular weight 528.31 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] (E)-non-2-enoate.
Chemical Property Profile of 12-Deoxyphorbol-13-nonenoate-20-acetate
Property Insights of 12-Deoxyphorbol-13-nonenoate-20-acetate
The XLogP value of 4.6076 indicates that 12-Deoxyphorbol-13-nonenoate-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-nonenoate-20-acetate. Following Lipinski's Rule of Five, 12-Deoxyphorbol-13-nonenoate-20-acetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-Deoxyphorbol-13-nonenoate-20-acetate?
The CAS number of 12-Deoxyphorbol-13-nonenoate-20-acetate is 74486-15-0.
What is the molecular formula of 12-Deoxyphorbol-13-nonenoate-20-acetate?
The molecular formula of 12-Deoxyphorbol-13-nonenoate-20-acetate is C31H44O7.
What is the molecular weight of 12-Deoxyphorbol-13-nonenoate-20-acetate?
The molecular weight of 12-Deoxyphorbol-13-nonenoate-20-acetate is 528.31 g/mol.
Where can I buy 12-Deoxyphorbol-13-nonenoate-20-acetate?
You can request a quote for 12-Deoxyphorbol-13-nonenoate-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-nonenoate-20-acetate?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol-13-nonenoate-20-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.