1-Bromo-2,5-dichloro-3-fluorobenzene
TL;DR: 1-Bromo-2,5-dichloro-3-fluorobenzene (CAS 1998-66-9) is a chemical compound with molecular formula C6H2BrCl2F and molecular weight 241.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2,5-dichloro-3-fluorobenzene
Also Known As: 1-Bromo-2,5-dichloro-3-fluorobenzene, 2,5-dichloro-3-fluorobromobenzene, Benzene, 1-bromo-2,5-dichloro-3-fluoro-, 3-bromo-2,5-dichloro-1-fluorobenzene, 1-bromo-2,5-dichloro-3-fluoro-benzene
| Molecular Formula | C6H2BrCl2F |
|---|---|
| Molecular Weight | 241.87 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 241.8701 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 1998-66-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1F)Cl)Br)Cl |
| InChIKey | CAYJMDVKWMVOLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-2,5-dichloro-3-fluorobenzene (CAS 1998-66-9), with molecular formula C6H2BrCl2F and molecular weight 241.87 g/mol. IUPAC: 1-bromo-2,5-dichloro-3-fluorobenzene.
Chemical Property Profile of 1-Bromo-2,5-dichloro-3-fluorobenzene
Property Insights of 1-Bromo-2,5-dichloro-3-fluorobenzene
The XLogP value of 4.0 indicates that 1-Bromo-2,5-dichloro-3-fluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-2,5-dichloro-3-fluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2,5-dichloro-3-fluorobenzene has 0 hydrogen bond donor(s) and 1 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 1-Bromo-2,5-dichloro-3-fluorobenzene?
The CAS number of 1-Bromo-2,5-dichloro-3-fluorobenzene is 1998-66-9.
What is the molecular formula of 1-Bromo-2,5-dichloro-3-fluorobenzene?
The molecular formula of 1-Bromo-2,5-dichloro-3-fluorobenzene is C6H2BrCl2F.
What is the molecular weight of 1-Bromo-2,5-dichloro-3-fluorobenzene?
The molecular weight of 1-Bromo-2,5-dichloro-3-fluorobenzene is 241.87 g/mol.
Where can I buy 1-Bromo-2,5-dichloro-3-fluorobenzene?
You can request a quote for 1-Bromo-2,5-dichloro-3-fluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2,5-dichloro-3-fluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2,5-dichloro-3-fluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.