12-Deoxyphorbol-13-dodecenoate-20-nicotinoate
TL;DR: 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate (CAS 74486-11-6) is a chemical compound with molecular formula C38H51NO7 and molecular weight 633.37 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)-13-[(E)-dodec-2-enoyl]oxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl pyridine-3-carboxylate
Also Known As: 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate, 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-dodecenoate 3-nicotinoate
| Molecular Formula | C38H51NO7 |
|---|---|
| Molecular Weight | 633.37 g/mol |
| LogP | 6.4668 |
| Topological Polar Surface Area | 123.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 633.3666 |
| Heavy Atoms | 46 |
| Complexity | 1412.9788 |
Chemical Identifiers
| CAS Number | 74486-11-6 |
|---|---|
| SMILES | CCCCCCCCC/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)C5=CN=CC=C5)O)C |
Product Overview
12-Deoxyphorbol-13-dodecenoate-20-nicotinoate (CAS 74486-11-6), with molecular formula C38H51NO7 and molecular weight 633.37 g/mol. IUPAC: [(1R,2S,6R,10S,11R,13S,15R)-13-[(E)-dodec-2-enoyl]oxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl pyridine-3-carboxylate.
Chemical Property Profile of 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate
Property Insights of 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate
The XLogP value of 6.4668 indicates that 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate. Following Lipinski's Rule of Five, 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate has 2 hydrogen bond donor(s) and 8 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-dodecenoate-20-nicotinoate?
The CAS number of 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate is 74486-11-6.
What is the molecular formula of 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate?
The molecular formula of 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate is C38H51NO7.
What is the molecular weight of 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate?
The molecular weight of 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate is 633.37 g/mol.
Where can I buy 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate?
You can request a quote for 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate 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-dodecenoate-20-nicotinoate?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol-13-dodecenoate-20-nicotinoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.