12-Hydroxy-N-methylpseudostrychnine
TL;DR: 12-Hydroxy-N-methylpseudostrychnine (CAS 22691-02-7) is a chemical compound with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione
Also Known As: Vomicine, 12-Hydroxy-N-methylpseudostrychnine, KST-1A2868, 4,16-Dihydroxy-19-methyl-10-oxostrychnidinium, Strychnidinium, 4,16-dihydroxy-19-methyl-10-oxo-
| Molecular Formula | C22H24N2O4 |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 380.1736 |
| Heavy Atoms | 28 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 22691-02-7 |
|---|---|
| SMILES | CN1CCC23[C@@H]4[C@H]5[C@@H](CC2=O)C(=CCO[C@H]5CC(=O)N4C6=C3C=CC=C6O)C1 |
| InChIKey | ZMTYENXGROJCEA-AIELXWJGSA-N |
Product Overview
12-Hydroxy-N-methylpseudostrychnine (CAS 22691-02-7), with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol. IUPAC: (10S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione.
Chemical Property Profile of 12-Hydroxy-N-methylpseudostrychnine
Property Insights of 12-Hydroxy-N-methylpseudostrychnine
The XLogP value of -0.1 indicates that 12-Hydroxy-N-methylpseudostrychnine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Hydroxy-N-methylpseudostrychnine. Following Lipinski's Rule of Five, 12-Hydroxy-N-methylpseudostrychnine has 1 hydrogen bond donor(s) and 5 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 12-Hydroxy-N-methylpseudostrychnine?
The CAS number of 12-Hydroxy-N-methylpseudostrychnine is 22691-02-7.
What is the molecular formula of 12-Hydroxy-N-methylpseudostrychnine?
The molecular formula of 12-Hydroxy-N-methylpseudostrychnine is C22H24N2O4.
What is the molecular weight of 12-Hydroxy-N-methylpseudostrychnine?
The molecular weight of 12-Hydroxy-N-methylpseudostrychnine is 380.17 g/mol.
Where can I buy 12-Hydroxy-N-methylpseudostrychnine?
You can request a quote for 12-Hydroxy-N-methylpseudostrychnine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Hydroxy-N-methylpseudostrychnine?
Yes, KEHONG BIO provides custom synthesis services for 12-Hydroxy-N-methylpseudostrychnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.