Brafouedine
TL;DR: Brafouedine (CAS 112946-90-4) is a chemical compound with molecular formula C18H22N2O2 and molecular weight 298.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13S,14R)-14-[(1R)-1-hydroxyethyl]-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-14-ol
Also Known As: Brafouedine, KST-1A0614, (4r,5s)-4-[(1r)-1-hydroxyethyl]-6-methylidene-1,3,4,5,6,7-hexahydro-2,5-ethanoazocino[4,3-b]indol-4-ol, 2,5-Ethano-2H-azocino[4,3-b]indole-4-methanol,1,3,4,5,6,7-hexahydro-4-hydroxy-a-methyl-6-methylene-, (aR,4R,5S)- (9CI), 4-(1-Hydroxyethyl)-6-methylidene-1,3,4,5,6,7-hexahydro-2,5-ethanoazocino[4,3-b]indol-4-ol
Technical Specifications
| Molecular Formula | C18H22N2O2 |
| Molecular Weight | 298.16812 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 59.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.16812 Da |
| Heavy Atoms | 22 |
| Complexity | 468.0 |
| SMILES | C[C@H]([C@@]1(CN2CC[C@H]1C(=C)C3=C(C2)C4=CC=CC=C4N3)O)O |
| InChIKey | DKDKOIIJKDOXLK-HNJNHCNJSA-N |
Chemical Property Profile of Brafouedine
Property Insights of Brafouedine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brafouedine. With a topological polar surface area (TPSA) of 59.5 Ų, Brafouedine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brafouedine has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Brafouedine?
The CAS number of Brafouedine is 112946-90-4.
What is the molecular formula of Brafouedine?
The molecular formula of Brafouedine is C18H22N2O2.
What is the molecular weight of Brafouedine?
The molecular weight of Brafouedine is 298.16812 g/mol.
Where can I buy Brafouedine?
You can request a quote for Brafouedine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Brafouedine?
Yes, CoreyChem provides custom synthesis services for Brafouedine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.