12-o-Tiglyl-phorbol-13-dodecanoate
TL;DR: 12-o-Tiglyl-phorbol-13-dodecanoate (CAS 37394-32-4) is a chemical compound with molecular formula C37H56O8 and molecular weight 628.40 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)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] dodecanoate
Also Known As: 12-o-Tiglyl-phorbol-13-dodecanoate, Phorbol 12-O-tiglyl-13-dodecanoate, Phorbol, 12-o-tiglyl-13-dodecanoate, 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-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-, 9-((E-)-2-methyl-2-butenoate), 9a-dodecanoate, Dodecanoic acid, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9-((2-methyl-1-oxo-2-butenyl)oxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester, (1aR-(1alpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta(E),9aalpha))-
| Molecular Formula | C37H56O8 |
|---|---|
| Molecular Weight | 628.40 g/mol |
| LogP | 5.919 |
| Topological Polar Surface Area | 130.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 628.3975 |
| Heavy Atoms | 45 |
| Complexity | 1244.6561 |
Chemical Identifiers
| CAS Number | 37394-32-4 |
|---|---|
| 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/C)/C)C)O)C=C(C4=O)C)O)CO |
Product Overview
12-o-Tiglyl-phorbol-13-dodecanoate (CAS 37394-32-4), with molecular formula C37H56O8 and molecular weight 628.40 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] dodecanoate.
Chemical Property Profile of 12-o-Tiglyl-phorbol-13-dodecanoate
Property Insights of 12-o-Tiglyl-phorbol-13-dodecanoate
The XLogP value of 5.919 indicates that 12-o-Tiglyl-phorbol-13-dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-o-Tiglyl-phorbol-13-dodecanoate. Following Lipinski's Rule of Five, 12-o-Tiglyl-phorbol-13-dodecanoate 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 12-o-Tiglyl-phorbol-13-dodecanoate?
The CAS number of 12-o-Tiglyl-phorbol-13-dodecanoate is 37394-32-4.
What is the molecular formula of 12-o-Tiglyl-phorbol-13-dodecanoate?
The molecular formula of 12-o-Tiglyl-phorbol-13-dodecanoate is C37H56O8.
What is the molecular weight of 12-o-Tiglyl-phorbol-13-dodecanoate?
The molecular weight of 12-o-Tiglyl-phorbol-13-dodecanoate is 628.40 g/mol.
Where can I buy 12-o-Tiglyl-phorbol-13-dodecanoate?
You can request a quote for 12-o-Tiglyl-phorbol-13-dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-o-Tiglyl-phorbol-13-dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for 12-o-Tiglyl-phorbol-13-dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.