4-Bromo-2-formylphenyl 2,6-difluorobenzoate
TL;DR: 4-Bromo-2-formylphenyl 2,6-difluorobenzoate (CAS 646989-39-1) is a chemical compound with molecular formula C14H7BrF2O3 and molecular weight 339.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-formylphenyl) 2,6-difluorobenzoate
Also Known As: 4-bromo-2-formylphenyl 2,6-difluorobenzoate, (4-bromo-2-formylphenyl) 2,6-difluorobenzoate
| Molecular Formula | C14H7BrF2O3 |
|---|---|
| Molecular Weight | 339.95 g/mol |
| LogP | 3.759 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.95465 |
| Heavy Atoms | 20 |
| Complexity | 665.8644 |
Chemical Identifiers
| CAS Number | 646989-39-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)OC2=C(C=C(C=C2)Br)C=O)F |
Product Overview
4-Bromo-2-formylphenyl 2,6-difluorobenzoate (CAS 646989-39-1), with molecular formula C14H7BrF2O3 and molecular weight 339.95 g/mol. IUPAC: (4-bromo-2-formylphenyl) 2,6-difluorobenzoate.
Chemical Property Profile of 4-Bromo-2-formylphenyl 2,6-difluorobenzoate
Property Insights of 4-Bromo-2-formylphenyl 2,6-difluorobenzoate
The XLogP value of 3.759 indicates that 4-Bromo-2-formylphenyl 2,6-difluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Bromo-2-formylphenyl 2,6-difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-formylphenyl 2,6-difluorobenzoate has 0 hydrogen bond donor(s) and 3 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 4-Bromo-2-formylphenyl 2,6-difluorobenzoate?
The CAS number of 4-Bromo-2-formylphenyl 2,6-difluorobenzoate is 646989-39-1.
What is the molecular formula of 4-Bromo-2-formylphenyl 2,6-difluorobenzoate?
The molecular formula of 4-Bromo-2-formylphenyl 2,6-difluorobenzoate is C14H7BrF2O3.
What is the molecular weight of 4-Bromo-2-formylphenyl 2,6-difluorobenzoate?
The molecular weight of 4-Bromo-2-formylphenyl 2,6-difluorobenzoate is 339.95 g/mol.
Where can I buy 4-Bromo-2-formylphenyl 2,6-difluorobenzoate?
You can request a quote for 4-Bromo-2-formylphenyl 2,6-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-formylphenyl 2,6-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-formylphenyl 2,6-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.