三(三氟甲基)铋
TL;DR: 三(三氟甲基)铋 (CAS 5863-80-9) is a chemical compound with molecular formula C12H9Cl2NO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三(三氟甲基)铋
ethyl 7,8-dichloro-4-oxo-1H-quinoline-3-carboxylate
Also Known As: ETHYL 7,8-DICHLORO-4-HYDROXYQUINOLINE-3-CARBOXYLATE, 7,8-Dichloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester, 2-NITRO-1H-IMIDAZOLE, Ethyl 7,8-dichloro-4-oxo-1,4-dihydroquinoline-3-carboxylate, ethyl 7,8-dichloro-4-oxo-1H-quinoline-3-carboxylate
| Molecular Formula | C12H9Cl2NO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.99594 |
| Heavy Atoms | 18 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 5863-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2Cl)Cl |
| InChIKey | FAEKTUDLKDVPSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三(三氟甲基)铋 (CAS 5863-80-9), with molecular formula C12H9Cl2NO3 and molecular weight 285.00 g/mol. IUPAC: ethyl 7,8-dichloro-4-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of 三(三氟甲基)铋
Property Insights of 三(三氟甲基)铋
The XLogP value of 3.2 indicates that 三(三氟甲基)铋 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 三(三氟甲基)铋 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三(三氟甲基)铋 has 1 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 三(三氟甲基)铋?
The CAS number of 三(三氟甲基)铋 is 5863-80-9.
What is the molecular formula of 三(三氟甲基)铋?
The molecular formula of 三(三氟甲基)铋 is C12H9Cl2NO3.
What is the molecular weight of 三(三氟甲基)铋?
The molecular weight of 三(三氟甲基)铋 is 285.00 g/mol.
Where can I buy 三(三氟甲基)铋?
You can request a quote for 三(三氟甲基)铋 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三(三氟甲基)铋?
Yes, KEHONG BIO provides custom synthesis services for 三(三氟甲基)铋 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.