Phorbol acetate, laurate
TL;DR: Phorbol acetate, laurate (CAS 20839-16-1) is a chemical compound with molecular formula C34H52O8 and molecular weight 588.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,11R,13S,15R)-14-acetyloxy-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] dodecanoate
Also Known As: Phorbol acetate, laurate, Phorbol acetate laurate, Phorbol monoacetate monolaurate, Lauric acid, 9a-ester with 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(hydroxymethyl)-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-1,1,6,8-alpha-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one 9-acetate, (1aR,1bS,4aR,7aS,7bS,8R,9aS)-9-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl dodecanoate
| Molecular Formula | C34H52O8 |
|---|---|
| Molecular Weight | 588.37 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 588.3662 |
| Heavy Atoms | 42 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 20839-16-1 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H](C2OC(=O)C)C)O)C=C(C4=O)C)O)CO |
| InChIKey | PSBLORXWXFKGFT-XBQQKYDNSA-N |
Product Overview
Phorbol acetate, laurate (CAS 20839-16-1), with molecular formula C34H52O8 and molecular weight 588.37 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,15R)-14-acetyloxy-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] dodecanoate.
Chemical Property Profile of Phorbol acetate, laurate
Property Insights of Phorbol acetate, laurate
The XLogP value of 5.5 indicates that Phorbol acetate, laurate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phorbol acetate, laurate. Following Lipinski's Rule of Five, Phorbol acetate, laurate has 3 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 Phorbol acetate, laurate?
The CAS number of Phorbol acetate, laurate is 20839-16-1.
What is the molecular formula of Phorbol acetate, laurate?
The molecular formula of Phorbol acetate, laurate is C34H52O8.
What is the molecular weight of Phorbol acetate, laurate?
The molecular weight of Phorbol acetate, laurate is 588.37 g/mol.
Where can I buy Phorbol acetate, laurate?
You can request a quote for Phorbol acetate, laurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phorbol acetate, laurate?
Yes, KEHONG BIO provides custom synthesis services for Phorbol acetate, laurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.