12-Deoxyphorbol-13-nonenoate
TL;DR: 12-Deoxyphorbol-13-nonenoate (CAS 74486-17-2) is a chemical compound with molecular formula C29H42O6 and molecular weight 486.30 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] (E)-non-2-enoate
Also Known As: 12-Deoxyphorbol-13-nonenoate, 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-, 9a-nonenoate
| Molecular Formula | C29H42O6 |
|---|---|
| Molecular Weight | 486.30 g/mol |
| LogP | 4.0368 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.29813 |
| Heavy Atoms | 35 |
| Complexity | 975.65643 |
Chemical Identifiers
| CAS Number | 74486-17-2 |
|---|---|
| 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)CO)O)C |
Product Overview
12-Deoxyphorbol-13-nonenoate (CAS 74486-17-2), with molecular formula C29H42O6 and molecular weight 486.30 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] (E)-non-2-enoate.
Chemical Property Profile of 12-Deoxyphorbol-13-nonenoate
Property Insights of 12-Deoxyphorbol-13-nonenoate
The XLogP value of 4.0368 indicates that 12-Deoxyphorbol-13-nonenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol-13-nonenoate. Following Lipinski's Rule of Five, 12-Deoxyphorbol-13-nonenoate 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-nonenoate?
The CAS number of 12-Deoxyphorbol-13-nonenoate is 74486-17-2.
What is the molecular formula of 12-Deoxyphorbol-13-nonenoate?
The molecular formula of 12-Deoxyphorbol-13-nonenoate is C29H42O6.
What is the molecular weight of 12-Deoxyphorbol-13-nonenoate?
The molecular weight of 12-Deoxyphorbol-13-nonenoate is 486.30 g/mol.
Where can I buy 12-Deoxyphorbol-13-nonenoate?
You can request a quote for 12-Deoxyphorbol-13-nonenoate 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?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol-13-nonenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.