Brucine, oxide
TL;DR: Brucine, oxide (CAS 1736-09-0) 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.
10,11-dimethoxy-6-oxido-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-6-ium-14-one
Also Known As: Brucine N-oxide, Brucine, oxide, Brucine, N-oxide, Brucine N-oxide hydrate, EINECS 241-328-6
| Molecular Formula | C23H26N2O5 |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.18417 |
| Heavy Atoms | 30 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 1736-09-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C34CC[N+]5(C3CC6C7C4N2C(=O)CC7OCC=C6C5)[O-])OC |
| InChIKey | HHHQMKWPZAYIAE-UHFFFAOYSA-N |
Product Overview
Brucine, oxide (CAS 1736-09-0), with molecular formula C23H26N2O5 and molecular weight 410.18 g/mol. IUPAC: 10,11-dimethoxy-6-oxido-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-6-ium-14-one.
Chemical Property Profile of Brucine, oxide
Property Insights of Brucine, oxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brucine, oxide. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Brucine, oxide. Following Lipinski's Rule of Five, Brucine, oxide has 0 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 Brucine, oxide?
The CAS number of Brucine, oxide is 1736-09-0.
What is the molecular formula of Brucine, oxide?
The molecular formula of Brucine, oxide is C23H26N2O5.
What is the molecular weight of Brucine, oxide?
The molecular weight of Brucine, oxide is 410.18 g/mol.
Where can I buy Brucine, oxide?
You can request a quote for Brucine, oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brucine, oxide?
Yes, KEHONG BIO provides custom synthesis services for Brucine, oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.