Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1)
TL;DR: Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1) (CAS 5786-96-9) is a chemical compound with molecular formula C23H27ClN2O4 and molecular weight 430.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;hydrochloride
Also Known As: Brucine hydrochloride, Brucine HCl, Brucinhydrochlorid, Brucine, monohydrochloride, Brucine hydrochloride monohydrate
| Molecular Formula | C23H27ClN2O4 |
|---|---|
| Molecular Weight | 430.17 g/mol |
| LogP | 2.53 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.16592 |
| Heavy Atoms | 30 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 5786-96-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.Cl |
| InChIKey | LOAGDNZFQUISCJ-SUJBTXFYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1) (CAS 5786-96-9), with molecular formula C23H27ClN2O4 and molecular weight 430.17 g/mol. IUPAC: (4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;hydrochloride.
Chemical Property Profile of Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1)
Property Insights of Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1)
The XLogP value of 2.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 51.2 Ų, Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1) 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 Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1)?
The CAS number of Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1) is 5786-96-9.
What is the molecular formula of Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1)?
The molecular formula of Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1) is C23H27ClN2O4.
What is the molecular weight of Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1)?
The molecular weight of Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1) is 430.17 g/mol.
Where can I buy Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1)?
You can request a quote for Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.