2-Methyl-demethyl gamma-amanitin
TL;DR: 2-Methyl-demethyl gamma-amanitin (CAS 34580-69-3) is a chemical compound with molecular formula C39H54N10O13S and molecular weight 902.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[34-butan-2-yl-8-hydroxy-13-(1-hydroxypropan-2-yl)-22-methoxy-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]acetamide
Also Known As: O-Methyl-demethyl gamma-amanitin, 2-Methyl-demethyl gamma-amanitin, Methyl-dehydroxymethyl-alpha-amanitin, 2-[29-(butan-2-yl)-2-hydroxy-21-(1-hydroxypropan-2-yl)-14-methoxy-11-oxido-5,8,20,23,24,27,30,33-octaoxo-1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-9,18-(epiminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indol-6-yl]acetamide, 2-[34-butan-2-yl-8-hydroxy-13-(1-hydroxypropan-2-yl)-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-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]acetamide
| Molecular Formula | C39H54N10O13S |
|---|---|
| Molecular Weight | 902.36 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 369.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 902.35925 |
| Heavy Atoms | 63 |
| Complexity | 1810.0 |
Chemical Identifiers
| CAS Number | 34580-69-3 |
|---|---|
| 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)N)O)C(C)CO)C5=C(N3)C=C(C=C5)OC |
| InChIKey | PUHXEOFNJOLESC-UHFFFAOYSA-N |
Product Overview
2-Methyl-demethyl gamma-amanitin (CAS 34580-69-3), with molecular formula C39H54N10O13S and molecular weight 902.36 g/mol. IUPAC: 2-[34-butan-2-yl-8-hydroxy-13-(1-hydroxypropan-2-yl)-22-methoxy-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]acetamide.
Chemical Property Profile of 2-Methyl-demethyl gamma-amanitin
Property Insights of 2-Methyl-demethyl gamma-amanitin
The XLogP value of -3.5 indicates that 2-Methyl-demethyl gamma-amanitin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 369.0 Ų indicates high polarity, suggesting 2-Methyl-demethyl gamma-amanitin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methyl-demethyl gamma-amanitin has 11 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 2-Methyl-demethyl gamma-amanitin?
The CAS number of 2-Methyl-demethyl gamma-amanitin is 34580-69-3.
What is the molecular formula of 2-Methyl-demethyl gamma-amanitin?
The molecular formula of 2-Methyl-demethyl gamma-amanitin is C39H54N10O13S.
What is the molecular weight of 2-Methyl-demethyl gamma-amanitin?
The molecular weight of 2-Methyl-demethyl gamma-amanitin is 902.36 g/mol.
Where can I buy 2-Methyl-demethyl gamma-amanitin?
You can request a quote for 2-Methyl-demethyl gamma-amanitin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-demethyl gamma-amanitin?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-demethyl gamma-amanitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.