Phallisin
TL;DR: Phallisin (CAS 19774-69-7) is a chemical compound with molecular formula C35H48N8O12S and molecular weight 804.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
28-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-18-hydroxy-34-(1-hydroxyethyl)-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: Phallisin, Phallicin, 28-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-18-hydroxy-34-(1-hydroxyethyl)-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, Phalloidin, 7-[4,5-dihydroxy-4-(hydroxymethyl)-L-norvaline]-, 18,9-(Iminoethaniminoethaniminoethaniminomethano)-17H-pyrrolo(1',2':5,6)(1,5,8,11)thiatriazacyclopentadecino(15,14-b)indole-4,7,19,22,25,28,31(18H)-heptone,1,2,3,3a,5,6,8,9,10,15-decahydro-29-(2,3-dihydroxy-2-(hydroxymethyl)propyl)-6,26-dimethyl-2-hydroxy-23-(1-hydroxyethyl)-
| Molecular Formula | C35H48N8O12S |
|---|---|
| Molecular Weight | 804.31 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 337.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 804.3112 |
| Heavy Atoms | 56 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 19774-69-7 |
|---|---|
| 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(CO)(CO)O)C)C(C)O |
| InChIKey | SRDQDZSLNAKOIT-UHFFFAOYSA-N |
Product Overview
Phallisin (CAS 19774-69-7), with molecular formula C35H48N8O12S and molecular weight 804.31 g/mol. IUPAC: 28-[2,3-dihydroxy-2-(hydroxymethyl)propyl]-18-hydroxy-34-(1-hydroxyethyl)-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 Phallisin
Property Insights of Phallisin
The XLogP value of -2.7 indicates that Phallisin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 337.0 Ų indicates high polarity, suggesting Phallisin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phallisin has 12 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phallisin?
The CAS number of Phallisin is 19774-69-7.
What is the molecular formula of Phallisin?
The molecular formula of Phallisin is C35H48N8O12S.
What is the molecular weight of Phallisin?
The molecular weight of Phallisin is 804.31 g/mol.
Where can I buy Phallisin?
You can request a quote for Phallisin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phallisin?
Yes, KEHONG BIO provides custom synthesis services for Phallisin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.