Trisdesaspidin
TL;DR: Trisdesaspidin (CAS 20213-24-5) is a chemical compound with molecular formula C35H42O12 and molecular weight 654.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butanoyl-4-[[3-butanoyl-5-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Also Known As: Trisdesaspidin, Trisdesaspidin BBB, T 02944, 2-[[3-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxy-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one, 2-Butanoyl-4-({3-butanoyl-5-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
| Molecular Formula | C35H42O12 |
|---|---|
| Molecular Weight | 654.27 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 654.26764 |
| Heavy Atoms | 47 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 20213-24-5 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C=C1O)OC)CC2=C(C(=C(C(=C2O)C(=O)CCC)O)CC3=C(C(C(=O)C(=C3O)C(=O)CCC)(C)C)O)O)O |
| InChIKey | DZHPZVNEJQJWQF-UHFFFAOYSA-N |
Product Overview
Trisdesaspidin (CAS 20213-24-5), with molecular formula C35H42O12 and molecular weight 654.27 g/mol. IUPAC: 2-butanoyl-4-[[3-butanoyl-5-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.
Chemical Property Profile of Trisdesaspidin
Property Insights of Trisdesaspidin
The XLogP value of 5.7 indicates that Trisdesaspidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.0 Ų indicates high polarity, suggesting Trisdesaspidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trisdesaspidin has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trisdesaspidin?
The CAS number of Trisdesaspidin is 20213-24-5.
What is the molecular formula of Trisdesaspidin?
The molecular formula of Trisdesaspidin is C35H42O12.
What is the molecular weight of Trisdesaspidin?
The molecular weight of Trisdesaspidin is 654.27 g/mol.
Where can I buy Trisdesaspidin?
You can request a quote for Trisdesaspidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trisdesaspidin?
Yes, KEHONG BIO provides custom synthesis services for Trisdesaspidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.