1,20-Didehydro-1,22-dihydrostrychnidin-10-one
TL;DR: 1,20-Didehydro-1,22-dihydrostrychnidin-10-one (CAS 466-69-3) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4a,5,5a,7,8,13a,15,15a,15b-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Also Known As: Neostrychnin, [?]one, tetranitrobenzo-18-crown-6, KST-1B4433, 1,20-didehydro-1,22-dihydrostrychnidin-10-one
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 466-69-3 |
|---|---|
| SMILES | C1COC2CC(=O)N3C4C2C5C1=CN6CCC4(C6C5)C7=CC=CC=C73 |
| InChIKey | APRWPDMHMBLSMK-UHFFFAOYSA-N |
Product Overview
1,20-Didehydro-1,22-dihydrostrychnidin-10-one (CAS 466-69-3), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: 3,4a,5,5a,7,8,13a,15,15a,15b-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one.
Chemical Property Profile of 1,20-Didehydro-1,22-dihydrostrychnidin-10-one
Property Insights of 1,20-Didehydro-1,22-dihydrostrychnidin-10-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,20-Didehydro-1,22-dihydrostrychnidin-10-one. With a topological polar surface area (TPSA) of 32.8 Ų, 1,20-Didehydro-1,22-dihydrostrychnidin-10-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,20-Didehydro-1,22-dihydrostrychnidin-10-one has 0 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 1,20-Didehydro-1,22-dihydrostrychnidin-10-one?
The CAS number of 1,20-Didehydro-1,22-dihydrostrychnidin-10-one is 466-69-3.
What is the molecular formula of 1,20-Didehydro-1,22-dihydrostrychnidin-10-one?
The molecular formula of 1,20-Didehydro-1,22-dihydrostrychnidin-10-one is C21H22N2O2.
What is the molecular weight of 1,20-Didehydro-1,22-dihydrostrychnidin-10-one?
The molecular weight of 1,20-Didehydro-1,22-dihydrostrychnidin-10-one is 334.17 g/mol.
Where can I buy 1,20-Didehydro-1,22-dihydrostrychnidin-10-one?
You can request a quote for 1,20-Didehydro-1,22-dihydrostrychnidin-10-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,20-Didehydro-1,22-dihydrostrychnidin-10-one?
Yes, KEHONG BIO provides custom synthesis services for 1,20-Didehydro-1,22-dihydrostrychnidin-10-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.