Phe1-phalloidin
TL;DR: Phe1-phalloidin (CAS 64470-55-9) is a chemical compound with molecular formula C41H52N8O11S and molecular weight 864.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14R,18S,20S,23S,28S,31S,34R)-31-benzyl-28-[(2R)-2,3-dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23-methyl-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: Phe1-phalloidin, Phe(sup 1)-phalloidin, RefChem:1094664, BRN 5800983
| Molecular Formula | C41H52N8O11S |
|---|---|
| Molecular Weight | 864.35 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 317.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 864.3476 |
| Heavy Atoms | 61 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 64470-55-9 |
|---|---|
| SMILES | C[C@H]1C(=O)NC2CC3=C(NC4=CC=CC=C34)SC[C@@H](C(=O)N5C[C@H](C[C@H]5C(=O)N1)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C[C@](C)(CO)O)CC6=CC=CC=C6)[C@H](C)O |
| InChIKey | HOADYWPDKUSGJL-GDLIAKQWSA-N |
Product Overview
Phe1-phalloidin (CAS 64470-55-9), with molecular formula C41H52N8O11S and molecular weight 864.35 g/mol. IUPAC: (14R,18S,20S,23S,28S,31S,34R)-31-benzyl-28-[(2R)-2,3-dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23-methyl-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 Phe1-phalloidin
Property Insights of Phe1-phalloidin
The XLogP value of -0.1 indicates that Phe1-phalloidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.0 Ų indicates high polarity, suggesting Phe1-phalloidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phe1-phalloidin has 11 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 Phe1-phalloidin?
The CAS number of Phe1-phalloidin is 64470-55-9.
What is the molecular formula of Phe1-phalloidin?
The molecular formula of Phe1-phalloidin is C41H52N8O11S.
What is the molecular weight of Phe1-phalloidin?
The molecular weight of Phe1-phalloidin is 864.35 g/mol.
Where can I buy Phe1-phalloidin?
You can request a quote for Phe1-phalloidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phe1-phalloidin?
Yes, KEHONG BIO provides custom synthesis services for Phe1-phalloidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.