BRUCINE
TL;DR: BRUCINE (CAS 357-57-3) is a chemical compound with molecular formula C23H26N2O4 and molecular weight 394.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5aS,8aR,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
Also Known As: BRUCINE, Brucinum, Bruzin, Brucine sulfate, Brucine alkaloid
| Molecular Formula | C23H26N2O4 |
|---|---|
| Molecular Weight | 394.19 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.18927 |
| Heavy Atoms | 29 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 357-57-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7C4N2C(=O)CC7OCC=C6C5)OC |
| InChIKey | RRKTZKIUPZVBMF-PLNGPGDESA-N |
Product Overview
BRUCINE (CAS 357-57-3), with molecular formula C23H26N2O4 and molecular weight 394.19 g/mol. IUPAC: (4aR,5aS,8aR,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.
Chemical Property Profile of BRUCINE
Property Insights of BRUCINE
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRUCINE. With a topological polar surface area (TPSA) of 51.2 Ų, BRUCINE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRUCINE 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?
The CAS number of BRUCINE is 357-57-3.
What is the molecular formula of BRUCINE?
The molecular formula of BRUCINE is C23H26N2O4.
What is the molecular weight of BRUCINE?
The molecular weight of BRUCINE is 394.19 g/mol.
Where can I buy BRUCINE?
You can request a quote for BRUCINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRUCINE?
Yes, KEHONG BIO provides custom synthesis services for BRUCINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.