Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)-
TL;DR: Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- (CAS 66671-95-2) is a chemical compound with molecular formula C31H46O10 and molecular weight 578.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-hydroxy-9-(hydroxymethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione
Also Known As: Oscillatoxin A, 3,12-Dihydroxyhexadecanoic acid, Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)-, 2,6,10,17-Tetraoxatricyclo(11.3.1.11,5)octadecane-7,11-dione,13-hydroxy-9-(hydroxymethyl)-3-((1S,4S)-4-(3-hydroxyphenyl)-4-methoxy-1-methylbutyl)-4,14,16,16-tetramethyl-, (1S,3R,4S,5S,9R,13S,14R)-, 2,6,10,17-Tetraoxatricyclo(11.3.1.11,5)octadecane-7,11-dione,13-hydroxy-9-(hydroxymethyl)-3-(4-(3-hydroxyphenyl)-4-methoxy-1-methylbutyl)-4,14,16,16-tetramethyl-, (1S-(1R*,3S*(1R*,4R*),4R*,5R*,9S*,13R*,14S*))-
| Molecular Formula | C31H46O10 |
|---|---|
| Molecular Weight | 578.31 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 578.3091 |
| Heavy Atoms | 41 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 66671-95-2 |
|---|---|
| SMILES | CC1CC(C23CC(C(C(O2)C(C)CCC(C4=CC(=CC=C4)O)OC)C)OC(=O)CC(OC(=O)CC1(O3)O)CO)(C)C |
| InChIKey | GKTXURNRIDXUNG-UHFFFAOYSA-N |
Product Overview
Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- (CAS 66671-95-2), with molecular formula C31H46O10 and molecular weight 578.31 g/mol. IUPAC: 13-hydroxy-9-(hydroxymethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione.
Chemical Property Profile of Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)-
Property Insights of Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)-
The XLogP value of 3.7 indicates that Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)-?
The CAS number of Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- is 66671-95-2.
What is the molecular formula of Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)-?
The molecular formula of Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- is C31H46O10.
What is the molecular weight of Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)-?
The molecular weight of Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- is 578.31 g/mol.
Where can I buy Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)-?
You can request a quote for Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Aplysiatoxin, 17-debromo-29-de(1-hydroxyethyl)-29-(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.