Desmethylphalloin
TL;DR: Desmethylphalloin (CAS 25030-32-4) is a chemical compound with molecular formula C34H46N8O10S and molecular weight 758.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxypropyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
Also Known As: Demethylphalloin, Desmethylphalloin, 7-(4-Hydroxy-L-norvaline), 7-(4-Hydroxy-L-norvaline)phalloidin, Phalloidin, 7-(4-hydroxy-L-norvaline)-
| Molecular Formula | C34H46N8O10S |
|---|---|
| Molecular Weight | 758.31 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 297.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 758.3058 |
| Heavy Atoms | 53 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 25030-32-4 |
|---|---|
| SMILES | CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)O)C)C(C)O |
| InChIKey | QFBWBPWXLYXNHF-UHFFFAOYSA-N |
Product Overview
Desmethylphalloin (CAS 25030-32-4), with molecular formula C34H46N8O10S and molecular weight 758.31 g/mol. IUPAC: 18-hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxypropyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone.
Chemical Property Profile of Desmethylphalloin
Property Insights of Desmethylphalloin
The XLogP value of -0.8 indicates that Desmethylphalloin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.0 Ų indicates high polarity, suggesting Desmethylphalloin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desmethylphalloin has 10 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Desmethylphalloin?
The CAS number of Desmethylphalloin is 25030-32-4.
What is the molecular formula of Desmethylphalloin?
The molecular formula of Desmethylphalloin is C34H46N8O10S.
What is the molecular weight of Desmethylphalloin?
The molecular weight of Desmethylphalloin is 758.31 g/mol.
Where can I buy Desmethylphalloin?
You can request a quote for Desmethylphalloin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylphalloin?
Yes, KEHONG BIO provides custom synthesis services for Desmethylphalloin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.