Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-
TL;DR: Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- (CAS 96563-05-2) is a chemical compound with molecular formula C32H46O9 and molecular weight 574.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12Z)-9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-7,11-dione
Also Known As: Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-
| Molecular Formula | C32H46O9 |
|---|---|
| Molecular Weight | 574.31 g/mol |
| LogP | 5.1919 |
| Topological Polar Surface Area | 120.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.3142 |
| Heavy Atoms | 41 |
| Complexity | 1127.9203 |
Chemical Identifiers
| CAS Number | 96563-05-2 |
|---|---|
| SMILES | CC\1CC(C23CC(C(C(O2)C(C)CCC(C4=CC(=CC=C4)O)OC)C)OC(=O)CC(OC(=O)/C=C1\O3)C(C)O)(C)C |
Product Overview
Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- (CAS 96563-05-2), with molecular formula C32H46O9 and molecular weight 574.31 g/mol. IUPAC: (12Z)-9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-7,11-dione.
Chemical Property Profile of Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-
Property Insights of Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-
The XLogP value of 5.1919 indicates that Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-. Following Lipinski's Rule of Five, Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- has 2 hydrogen bond donor(s) and 9 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-2,3-didehydro-3-deoxy-?
The CAS number of Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- is 96563-05-2.
What is the molecular formula of Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-?
The molecular formula of Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- is C32H46O9.
What is the molecular weight of Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-?
The molecular weight of Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- is 574.31 g/mol.
Where can I buy Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy-?
You can request a quote for Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- 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-2,3-didehydro-3-deoxy-?
Yes, KEHONG BIO provides custom synthesis services for Aplysiatoxin, 17-debromo-2,3-didehydro-3-deoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.