5-Bromo-2-(difluoromethoxy)benzoic acid
TL;DR: 5-Bromo-2-(difluoromethoxy)benzoic acid (CAS 438221-79-5) is a chemical compound with molecular formula C8H5BrF2O3 and molecular weight 265.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-(difluoromethoxy)benzoic acid
Also Known As: 5-bromo-2-(difluoromethoxy)benzoic acid, 5-bromo-2-difluoromethoxy-benzoic acid, 5-Bromo-2-(difluoromethoxy)benzoicacid, 2-(difluoromethoxy)-5-bromobenzoic acid, 5-Bromo-2-difluoromethoxybenzoic acid
| Molecular Formula | C8H5BrF2O3 |
|---|---|
| Molecular Weight | 265.94 g/mol |
| LogP | 2.7487 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.939 |
| Heavy Atoms | 14 |
| Complexity | 354.43967 |
Chemical Identifiers
| CAS Number | 438221-79-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C(=O)O)OC(F)F |
Product Overview
5-Bromo-2-(difluoromethoxy)benzoic acid (CAS 438221-79-5), with molecular formula C8H5BrF2O3 and molecular weight 265.94 g/mol. IUPAC: 5-bromo-2-(difluoromethoxy)benzoic acid.
Chemical Property Profile of 5-Bromo-2-(difluoromethoxy)benzoic acid
Property Insights of 5-Bromo-2-(difluoromethoxy)benzoic acid
The XLogP value of 2.7487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-(difluoromethoxy)benzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 5-Bromo-2-(difluoromethoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-(difluoromethoxy)benzoic acid has 1 hydrogen bond donor(s) and 2 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-2-(difluoromethoxy)benzoic acid?
The CAS number of 5-Bromo-2-(difluoromethoxy)benzoic acid is 438221-79-5.
What is the molecular formula of 5-Bromo-2-(difluoromethoxy)benzoic acid?
The molecular formula of 5-Bromo-2-(difluoromethoxy)benzoic acid is C8H5BrF2O3.
What is the molecular weight of 5-Bromo-2-(difluoromethoxy)benzoic acid?
The molecular weight of 5-Bromo-2-(difluoromethoxy)benzoic acid is 265.94 g/mol.
Where can I buy 5-Bromo-2-(difluoromethoxy)benzoic acid?
You can request a quote for 5-Bromo-2-(difluoromethoxy)benzoic 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-2-(difluoromethoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-(difluoromethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.