Chaetiacandin
TL;DR: Chaetiacandin (CAS 96989-32-1) is a chemical compound with molecular formula C43H60O16 and molecular weight 832.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[5-[2-[(2E,4E)-deca-2,4-dienoyl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,8E,10E)-7-hydroxy-12-methyltrideca-2,4,8,10-tetraenoate
Also Known As: Chaetiacandin, D-Glucitol, 1,5-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(1-oxo-2,4-decadienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-2,4,8,10-tetradecatetraenoate), (5-(5-(2-((2E,4E)-deca-2,4-dienoyl)oxy-1-hydroxyethyl)-3,4-dihydroxyoxolan-2-yl)oxy-2-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-3-hydroxy-6-(hydroxymethyl)oxan-4-yl) (2E,4E,8E,10E)-7-hydroxy-12-methyltrideca-2,4,8,10-tetraenoate, [5-[5-[2-[(2E,4E)-deca-2,4-dienoyl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,8E,10E)-7-hydroxy-12-methyltrideca-2,4,8,10-tetraenoate
| Molecular Formula | C43H60O16 |
|---|---|
| Molecular Weight | 832.39 g/mol |
| LogP | 2.3555 |
| Topological Polar Surface Area | 262.36 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Exact Mass | 832.3881 |
| Heavy Atoms | 59 |
| Complexity | 1632.9155 |
Chemical Identifiers
| CAS Number | 96989-32-1 |
|---|---|
| SMILES | CCCCC/C=C/C=C/C(=O)OCC(C1C(C(C(O1)OC2C(OC(C(C2OC(=O)/C=C/C=C/CC(/C=C/C=C/C(C)C)O)O)C3=C(C=C(C=C3O)O)CO)CO)O)O)O |
Product Overview
Chaetiacandin (CAS 96989-32-1), with molecular formula C43H60O16 and molecular weight 832.39 g/mol. IUPAC: [5-[5-[2-[(2E,4E)-deca-2,4-dienoyl]oxy-1-hydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] (2E,4E,8E,10E)-7-hydroxy-12-methyltrideca-2,4,8,10-tetraenoate.
Chemical Property Profile of Chaetiacandin
Property Insights of Chaetiacandin
The XLogP value of 2.3555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chaetiacandin. The TPSA of 262.36 Ų indicates high polarity, suggesting Chaetiacandin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chaetiacandin has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chaetiacandin?
The CAS number of Chaetiacandin is 96989-32-1.
What is the molecular formula of Chaetiacandin?
The molecular formula of Chaetiacandin is C43H60O16.
What is the molecular weight of Chaetiacandin?
The molecular weight of Chaetiacandin is 832.39 g/mol.
Where can I buy Chaetiacandin?
You can request a quote for Chaetiacandin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chaetiacandin?
Yes, KEHONG BIO provides custom synthesis services for Chaetiacandin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.