Roflurane
TL;DR: Roflurane (CAS 679-90-3) is a chemical compound with molecular formula C3H4BrF3O and molecular weight 191.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,1,2-trifluoro-1-methoxyethane
Also Known As: ROFLURANE, Roflurano, Rofluran, Rofluranum, 2-bromo-1H-indole
| Molecular Formula | C3H4BrF3O |
|---|---|
| Molecular Weight | 191.94 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.93976 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 679-90-3 |
|---|---|
| SMILES | COC(C(F)Br)(F)F |
| InChIKey | YOQYDUAUSFAUER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Roflurane (CAS 679-90-3), with molecular formula C3H4BrF3O and molecular weight 191.94 g/mol. IUPAC: 2-bromo-1,1,2-trifluoro-1-methoxyethane.
Chemical Property Profile of Roflurane
Property Insights of Roflurane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roflurane. With a topological polar surface area (TPSA) of 9.2 Ų, Roflurane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Roflurane has 0 hydrogen bond donor(s) and 4 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 Roflurane?
The CAS number of Roflurane is 679-90-3.
What is the molecular formula of Roflurane?
The molecular formula of Roflurane is C3H4BrF3O.
What is the molecular weight of Roflurane?
The molecular weight of Roflurane is 191.94 g/mol.
Where can I buy Roflurane?
You can request a quote for Roflurane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roflurane?
Yes, KEHONG BIO provides custom synthesis services for Roflurane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.