12-Deoxy-phorbol-13-dodecenoate-20-acetate
TL;DR: 12-Deoxy-phorbol-13-dodecenoate-20-acetate (CAS 56530-50-8) is a chemical compound with molecular formula C34H50O7 and molecular weight 570.36 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)-dodec-2-enoate
Also Known As: 12-Deoxy-phorbol-13-dodecenoate-20-acetate, 12-Deoxy-phorbol, 20-acetate-13-dodecenoate, 12-Deoxyphorbol-13-dodecenoate-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-3-(acetoxymethyl)-1,1,6,8-alpha-tetramethyl-4a-beta,7b-alpha,9a-alpha-trihydroxy-, 9a-dodecenoate, Dodecenoic acid, 3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, [1aR-(1a.alpha.,1b.beta.,4a.beta.,7a.alpha.,7b.alpha.,8.alpha.,9a.alpha.)]-
| Molecular Formula | C34H50O7 |
|---|---|
| Molecular Weight | 570.36 g/mol |
| LogP | 5.7779 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 570.35565 |
| Heavy Atoms | 41 |
| Complexity | 1131.8944 |
Chemical Identifiers
| CAS Number | 56530-50-8 |
|---|---|
| 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)C)O)C |
Product Overview
12-Deoxy-phorbol-13-dodecenoate-20-acetate (CAS 56530-50-8), with molecular formula C34H50O7 and molecular weight 570.36 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)-dodec-2-enoate.
Chemical Property Profile of 12-Deoxy-phorbol-13-dodecenoate-20-acetate
Property Insights of 12-Deoxy-phorbol-13-dodecenoate-20-acetate
The XLogP value of 5.7779 indicates that 12-Deoxy-phorbol-13-dodecenoate-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-Deoxy-phorbol-13-dodecenoate-20-acetate. Following Lipinski's Rule of Five, 12-Deoxy-phorbol-13-dodecenoate-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-Deoxy-phorbol-13-dodecenoate-20-acetate?
The CAS number of 12-Deoxy-phorbol-13-dodecenoate-20-acetate is 56530-50-8.
What is the molecular formula of 12-Deoxy-phorbol-13-dodecenoate-20-acetate?
The molecular formula of 12-Deoxy-phorbol-13-dodecenoate-20-acetate is C34H50O7.
What is the molecular weight of 12-Deoxy-phorbol-13-dodecenoate-20-acetate?
The molecular weight of 12-Deoxy-phorbol-13-dodecenoate-20-acetate is 570.36 g/mol.
Where can I buy 12-Deoxy-phorbol-13-dodecenoate-20-acetate?
You can request a quote for 12-Deoxy-phorbol-13-dodecenoate-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-Deoxy-phorbol-13-dodecenoate-20-acetate?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxy-phorbol-13-dodecenoate-20-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.