Amanitins
TL;DR: Amanitins (CAS 11030-71-0) 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-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,30,33,36,39-octaoxo-27-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: Amanitins, Amanitin, alpha-amanitin, Amanitine, 2-[34-Butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,30,33,36,39-octaoxo-27-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
| Molecular Formula | C39H53N9O14S |
|---|---|
| Molecular Weight | 903.34 g/mol |
| LogP | -4.3364 |
| Topological Polar Surface Area | 358.02 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 903.34326 |
| Heavy Atoms | 63 |
| Complexity | 2117.856 |
Chemical Identifiers
| CAS Number | 11030-71-0 |
|---|---|
| SMILES | CCC(C)C1C(=O)NCC(=O)NC2CSC3=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(CO)O)C5=C(N3)C=C(C=C5)O |
Product Overview
Amanitins (CAS 11030-71-0), with molecular formula C39H53N9O14S and molecular weight 903.34 g/mol. IUPAC: 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,30,33,36,39-octaoxo-27-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 Amanitins
Property Insights of Amanitins
The XLogP value of -4.3364 indicates that Amanitins is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 358.02 Ų indicates high polarity, suggesting Amanitins may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amanitins has 13 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amanitins?
The CAS number of Amanitins is 11030-71-0.
What is the molecular formula of Amanitins?
The molecular formula of Amanitins is C39H53N9O14S.
What is the molecular weight of Amanitins?
The molecular weight of Amanitins is 903.34 g/mol.
Where can I buy Amanitins?
You can request a quote for Amanitins directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amanitins?
Yes, KEHONG BIO provides custom synthesis services for Amanitins and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.