2-Bromostrychnidin-10-one
TL;DR: 2-Bromostrychnidin-10-one (CAS 58523-41-4) is a chemical compound with molecular formula C21H21BrN2O2 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5aS,13aS,15aS,15bR)-10-bromo-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
Also Known As: 2-Bromostrychnine, 2-Bromostrychnidin-10-one, Strychnine, 2-bromo-, Strychnidin-10-one, 2-bromo-, Strychnidin-10-one, 2-bromo- (9CI)
| Molecular Formula | C21H21BrN2O2 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 2.855 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 412.07864 |
| Heavy Atoms | 26 |
| Complexity | 897.9973 |
Chemical Identifiers
| CAS Number | 58523-41-4 |
|---|---|
| SMILES | C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2C61C7=C5C=CC(=C7)Br |
Product Overview
2-Bromostrychnidin-10-one (CAS 58523-41-4), with molecular formula C21H21BrN2O2 and molecular weight 412.08 g/mol. IUPAC: (4aR,5aS,13aS,15aS,15bR)-10-bromo-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.
Chemical Property Profile of 2-Bromostrychnidin-10-one
Property Insights of 2-Bromostrychnidin-10-one
The XLogP value of 2.855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromostrychnidin-10-one. With a topological polar surface area (TPSA) of 32.78 Ų, 2-Bromostrychnidin-10-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromostrychnidin-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 2-Bromostrychnidin-10-one?
The CAS number of 2-Bromostrychnidin-10-one is 58523-41-4.
What is the molecular formula of 2-Bromostrychnidin-10-one?
The molecular formula of 2-Bromostrychnidin-10-one is C21H21BrN2O2.
What is the molecular weight of 2-Bromostrychnidin-10-one?
The molecular weight of 2-Bromostrychnidin-10-one is 412.08 g/mol.
Where can I buy 2-Bromostrychnidin-10-one?
You can request a quote for 2-Bromostrychnidin-10-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromostrychnidin-10-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromostrychnidin-10-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.