epsilon-Amanitin
TL;DR: epsilon-Amanitin (CAS 21705-02-2) is a chemical compound with molecular formula C39H53N9O14S and molecular weight 903.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid
Also Known As: epsilon-Amanitin, Amanine, e-Amantin, AMANIN, ??-Amanitin
| Molecular Formula | C39H53N9O14S |
|---|---|
| Molecular Weight | 903.34 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 374.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 903.34326 |
| Heavy Atoms | 63 |
| Complexity | 1820.0 |
Chemical Identifiers
| CAS Number | 21705-02-2 |
|---|---|
| SMILES | CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O |
| InChIKey | OFILNAORONITPV-UHFFFAOYSA-N |
Product Overview
epsilon-Amanitin (CAS 21705-02-2), with molecular formula C39H53N9O14S and molecular weight 903.34 g/mol. IUPAC: 2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid.
Chemical Property Profile of epsilon-Amanitin
Property Insights of epsilon-Amanitin
The XLogP value of -2.7 indicates that epsilon-Amanitin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 374.0 Ų indicates high polarity, suggesting epsilon-Amanitin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, epsilon-Amanitin has 12 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of epsilon-Amanitin?
The CAS number of epsilon-Amanitin is 21705-02-2.
What is the molecular formula of epsilon-Amanitin?
The molecular formula of epsilon-Amanitin is C39H53N9O14S.
What is the molecular weight of epsilon-Amanitin?
The molecular weight of epsilon-Amanitin is 903.34 g/mol.
Where can I buy epsilon-Amanitin?
You can request a quote for epsilon-Amanitin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for epsilon-Amanitin?
Yes, KEHONG BIO provides custom synthesis services for epsilon-Amanitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.