O-Methyl-demethyl gamma-amanitin
TL;DR: O-Methyl-demethyl gamma-amanitin (CAS 29030-16-8) is a chemical compound with molecular formula C22H32N2O2 and molecular weight 356.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1,2-dihydropyrazol-3-one
Also Known As: O-Methyl-demethyl gamma-amanitin, 2-Methyl-demethyl gamma-amanitin, Methyl-dehydroxymethyl-alpha-amanitin, 17-(3-Hydroxy-1H-pyrazol-5-yl)androst-5-en-3-ol, 5-(3-hydroxyandrost-5-en-17-yl)-1,2-dihydro-3h-pyrazol-3-one
| Molecular Formula | C22H32N2O2 |
|---|---|
| Molecular Weight | 356.25 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.24637 |
| Heavy Atoms | 26 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 29030-16-8 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2C4=CC(=O)NN4)CC=C5C3(CCC(C5)O)C |
| InChIKey | YDWCDXCQJNWYNH-UHFFFAOYSA-N |
Product Overview
O-Methyl-demethyl gamma-amanitin (CAS 29030-16-8), with molecular formula C22H32N2O2 and molecular weight 356.25 g/mol. IUPAC: 5-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1,2-dihydropyrazol-3-one.
Chemical Property Profile of O-Methyl-demethyl gamma-amanitin
Property Insights of O-Methyl-demethyl gamma-amanitin
The XLogP value of 3.9 indicates that O-Methyl-demethyl gamma-amanitin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Methyl-demethyl gamma-amanitin. Following Lipinski's Rule of Five, O-Methyl-demethyl gamma-amanitin has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-Methyl-demethyl gamma-amanitin?
The CAS number of O-Methyl-demethyl gamma-amanitin is 29030-16-8.
What is the molecular formula of O-Methyl-demethyl gamma-amanitin?
The molecular formula of O-Methyl-demethyl gamma-amanitin is C22H32N2O2.
What is the molecular weight of O-Methyl-demethyl gamma-amanitin?
The molecular weight of O-Methyl-demethyl gamma-amanitin is 356.25 g/mol.
Where can I buy O-Methyl-demethyl gamma-amanitin?
You can request a quote for O-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 O-Methyl-demethyl gamma-amanitin?
Yes, KEHONG BIO provides custom synthesis services for O-Methyl-demethyl gamma-amanitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.