Brucine, hydrate
TL;DR: Brucine, hydrate (CAS 4845-99-2) is a chemical compound with molecular formula C23H28N2O8S and molecular weight 492.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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;sulfuric acid
Also Known As: Brucine sulfate, BRUCINE, HYDRATE, Brucine, sulfate (2:1), Strychnidin-10-one,3-dimethoxy-, sulfate (2:1), Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1)
| Molecular Formula | C23H28N2O8S |
|---|---|
| Molecular Weight | 492.16 g/mol |
| LogP | 1.4569 |
| Topological Polar Surface Area | 125.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 492.15665 |
| Heavy Atoms | 34 |
| Complexity | 1191.5957 |
Chemical Identifiers
| CAS Number | 4845-99-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.OS(=O)(=O)O |
Product Overview
Brucine, hydrate (CAS 4845-99-2), with molecular formula C23H28N2O8S and molecular weight 492.16 g/mol. IUPAC: 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;sulfuric acid.
Chemical Property Profile of Brucine, hydrate
Property Insights of Brucine, hydrate
The XLogP value of 1.4569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brucine, hydrate. The TPSA of 125.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Brucine, hydrate. Following Lipinski's Rule of Five, Brucine, hydrate has 2 hydrogen bond donor(s) and 7 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, hydrate?
The CAS number of Brucine, hydrate is 4845-99-2.
What is the molecular formula of Brucine, hydrate?
The molecular formula of Brucine, hydrate is C23H28N2O8S.
What is the molecular weight of Brucine, hydrate?
The molecular weight of Brucine, hydrate is 492.16 g/mol.
Where can I buy Brucine, hydrate?
You can request a quote for Brucine, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brucine, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Brucine, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.