BETA-AMANITIN
TL;DR: BETA-AMANITIN (CAS 21150-22-1) is a chemical compound with molecular formula C39H53N9O15S and molecular weight 919.34 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-2,5,11,14,27,30,33,36,39-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: BETA-AMANITIN, beta-Amanitine, beta-Amatoxin, b-Amanitin, -Amanitin
| Molecular Formula | C39H53N9O15S |
|---|---|
| Molecular Weight | 919.34 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 394.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 919.3382 |
| Heavy Atoms | 64 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 21150-22-1 |
|---|---|
| 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(CO)O)C5=C(N3)C=C(C=C5)O |
| InChIKey | IEQCUEXVAPAFMQ-UHFFFAOYSA-N |
Product Overview
BETA-AMANITIN (CAS 21150-22-1), with molecular formula C39H53N9O15S and molecular weight 919.34 g/mol. IUPAC: 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-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 BETA-AMANITIN
Property Insights of BETA-AMANITIN
The XLogP value of -3.8 indicates that BETA-AMANITIN is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 394.0 Ų indicates high polarity, suggesting BETA-AMANITIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BETA-AMANITIN has 13 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BETA-AMANITIN?
The CAS number of BETA-AMANITIN is 21150-22-1.
What is the molecular formula of BETA-AMANITIN?
The molecular formula of BETA-AMANITIN is C39H53N9O15S.
What is the molecular weight of BETA-AMANITIN?
The molecular weight of BETA-AMANITIN is 919.34 g/mol.
Where can I buy BETA-AMANITIN?
You can request a quote for BETA-AMANITIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BETA-AMANITIN?
Yes, KEHONG BIO provides custom synthesis services for BETA-AMANITIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.