5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid
TL;DR: 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid (CAS 232602-79-8) is a chemical compound with molecular formula C5H5BrClF3O2 and molecular weight 267.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-chloro-4,5,5-trifluoropentanoic acid
Also Known As: 5-bromo-4-chloro-4,5,5-trifluoropentanoic acid, 2,5-DIFLUORO-4-CHLOROBENZOIC ACID, Pentanoic acid, 5-bromo-4-chloro-4,5,5-trifluoro-, Pentanoic acid,5-bromo-4-chloro-4,5,5-trifluoro-, 5-bromo-4-chloro-4,5,5-trifluoro-pentanoic Acid
| Molecular Formula | C5H5BrClF3O2 |
|---|---|
| Molecular Weight | 267.91 g/mol |
| LogP | 2.7435 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.91135 |
| Heavy Atoms | 12 |
| Complexity | 180.02237 |
Chemical Identifiers
| CAS Number | 232602-79-8 |
|---|---|
| SMILES | C(CC(C(F)(F)Br)(F)Cl)C(=O)O |
Product Overview
5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid (CAS 232602-79-8), with molecular formula C5H5BrClF3O2 and molecular weight 267.91 g/mol. IUPAC: 5-bromo-4-chloro-4,5,5-trifluoropentanoic acid.
Chemical Property Profile of 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid
Property Insights of 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid
The XLogP value of 2.7435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid has 1 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 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid?
The CAS number of 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid is 232602-79-8.
What is the molecular formula of 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid?
The molecular formula of 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid is C5H5BrClF3O2.
What is the molecular weight of 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid?
The molecular weight of 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid is 267.91 g/mol.
Where can I buy 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid?
You can request a quote for 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.