Pseudobrucine
TL;DR: Pseudobrucine (CAS 5650-00-0) is a chemical compound with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5a-hydroxy-10,11-dimethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Also Known As: Pseudobrucine, 16-Hydroxy-2,3-dimethoxystrychnidin-10-one, NCI60_042243, Strychnidin-10-one, 16-hydroxy-2,3-dimethoxy-
| Molecular Formula | C23H26N2O5 |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.18417 |
| Heavy Atoms | 30 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 5650-00-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C34CCN5C3(CC6C7C4N2C(=O)CC7OCC=C6C5)O)OC |
| InChIKey | JNNROFOMHXIAMQ-UHFFFAOYSA-N |
Product Overview
Pseudobrucine (CAS 5650-00-0), with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol. IUPAC: 5a-hydroxy-10,11-dimethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one.
Chemical Property Profile of Pseudobrucine
Property Insights of Pseudobrucine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudobrucine. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudobrucine. Following Lipinski's Rule of Five, Pseudobrucine has 1 hydrogen bond donor(s) and 6 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 Pseudobrucine?
The CAS number of Pseudobrucine is 5650-00-0.
What is the molecular formula of Pseudobrucine?
The molecular formula of Pseudobrucine is C23H26N2O5.
What is the molecular weight of Pseudobrucine?
The molecular weight of Pseudobrucine is 410.18 g/mol.
Where can I buy Pseudobrucine?
You can request a quote for Pseudobrucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudobrucine?
Yes, KEHONG BIO provides custom synthesis services for Pseudobrucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.