Brl 55834
TL;DR: Brl 55834 (CAS 131899-25-7) is a chemical compound with molecular formula C18H20F5NO3 and molecular weight 393.13632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydrochromen-4-yl]piperidin-2-one
Also Known As: Brl 55834, 3,4-Dihydro-2,2-dimethyl-4-(oxopiperidin-1-yl)-6-pentafluoroethyl-2H-1-benzopyran-3-ol, 1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydrochromen-4-yl]piperidin-2-one, 2-Piperidinone, 1-(3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(pentafluoroethyl)-2H-1-benzopyran-4-yl)-, (3S-trans)-, 1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]piperidin-2-one
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H20F5NO3 |
| Molecular Weight | 393.13632 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.13632 Da |
| Heavy Atoms | 27 |
| Complexity | 580.0 |
| SMILES | CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C(C(F)(F)F)(F)F)N3CCCCC3=O)O)C |
| InChIKey | ZSUFQZNGDIXQAD-CABCVRRESA-N |
Chemical Property Profile of Brl 55834
Property Insights of Brl 55834
The XLogP value of 3.0 indicates that Brl 55834 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Brl 55834 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brl 55834 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Brl 55834?
The CAS number of Brl 55834 is 131899-25-7.
What is the molecular formula of Brl 55834?
The molecular formula of Brl 55834 is C18H20F5NO3.
What is the molecular weight of Brl 55834?
The molecular weight of Brl 55834 is 393.13632 g/mol.
Where can I buy Brl 55834?
You can request a quote for Brl 55834 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Brl 55834?
Yes, CoreyChem provides custom synthesis services for Brl 55834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.