12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one
TL;DR: 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one (CAS 129724-78-3) is a chemical compound with molecular formula C23H26N2O4 and molecular weight 394.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13S,19S,21S)-14-(2-hydroxyethylidene)-4,5-dimethoxy-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
Also Known As: Isobrucine, 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one, 12,24-Secostrychnidin-10-one, 12,13-didehydro-2,3-dimethoxy-, (13S,19S,21S)-14-(2-Hydroxyethylidene)-4,5-dimethoxy-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one, (11bS,12S,13aS)-14-(2-Hydroxyethylidene)-5,6-dimethoxy-2,3,10,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-9-one
Technical Specifications
| Molecular Formula | C23H26N2O4 |
| Molecular Weight | 394.18927 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.18927 Da |
| Heavy Atoms | 29 |
| Complexity | 794.0 |
| SMILES | COC1=C(C=C2C(=C1)C34CCN5[C@H]3C[C@@H](C(=CCO)C5)C6=CCC(=O)N2[C@H]46)OC |
| InChIKey | XTGYWZXUYFAABL-HUJXXYTHSA-N |
Chemical Property Profile of 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one
Property Insights of 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one. Following Lipinski's Rule of Five, 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one 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
What is the CAS number of 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one?
The CAS number of 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one is 129724-78-3.
What is the molecular formula of 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one?
The molecular formula of 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one is C23H26N2O4.
What is the molecular weight of 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one?
The molecular weight of 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one is 394.18927 g/mol.
Where can I buy 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one?
You can request a quote for 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one?
Yes, CoreyChem provides custom synthesis services for 12,13-Didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.