β-鹅膏蕈碱
TL;DR: β-鹅膏蕈碱 (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.
β-鹅膏蕈碱
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
β-鹅膏蕈碱 (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 β-鹅膏蕈碱
Property Insights of β-鹅膏蕈碱
The XLogP value of -3.8 indicates that β-鹅膏蕈碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 394.0 Ų indicates high polarity, suggesting β-鹅膏蕈碱 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, β-鹅膏蕈碱 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 β-鹅膏蕈碱?
The CAS number of β-鹅膏蕈碱 is 21150-22-1.
What is the molecular formula of β-鹅膏蕈碱?
The molecular formula of β-鹅膏蕈碱 is C39H53N9O15S.
What is the molecular weight of β-鹅膏蕈碱?
The molecular weight of β-鹅膏蕈碱 is 919.34 g/mol.
Where can I buy β-鹅膏蕈碱?
You can request a quote for β-鹅膏蕈碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-鹅膏蕈碱?
Yes, KEHONG BIO provides custom synthesis services for β-鹅膏蕈碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.