Phalloin
TL;DR: Phalloin (CAS 28227-92-1) is a chemical compound with molecular formula C35H48N8O10S and molecular weight 772.32 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-hydroxy-2-methylpropyl)-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: PHALLOIN, Phalloine, Phalloidin, 7-(4-hydroxy-L-leucine)-, 18-hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-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, 18,21,24,26,29,32,35-heptahydroxy-28-(2-hydroxy-2-methylpropyl)-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo(12.11.11.03,11.04,9.016,20)hexatriaconta-3(11),4,6,8,21,24,26,29,32,35-decaen-15-one
| Molecular Formula | C35H48N8O10S |
|---|---|
| Molecular Weight | 772.32 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 297.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 772.3214 |
| Heavy Atoms | 54 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 28227-92-1 |
|---|---|
| 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)(C)O)C)C(C)O |
| InChIKey | VVAHMTWEOWYEHQ-UHFFFAOYSA-N |
Product Overview
Phalloin (CAS 28227-92-1), with molecular formula C35H48N8O10S and molecular weight 772.32 g/mol. IUPAC: 18-hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-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 Phalloin
Property Insights of Phalloin
The XLogP value of -0.6 indicates that Phalloin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.0 Ų indicates high polarity, suggesting Phalloin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phalloin 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 Phalloin?
The CAS number of Phalloin is 28227-92-1.
What is the molecular formula of Phalloin?
The molecular formula of Phalloin is C35H48N8O10S.
What is the molecular weight of Phalloin?
The molecular weight of Phalloin is 772.32 g/mol.
Where can I buy Phalloin?
You can request a quote for Phalloin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phalloin?
Yes, KEHONG BIO provides custom synthesis services for Phalloin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.