Benzoic acid, 3,5-difluoro-, sodium salt (1:1)
TL;DR: Benzoic acid, 3,5-difluoro-, sodium salt (1:1) (CAS 530141-39-0) is a chemical compound with molecular formula C7H3F2NaO2 and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3,5-difluorobenzoate
Also Known As: Sodium 3,5-difluorobenzoate, sodium;3,5-difluorobenzoate, SODIUM3,5-DIFLUOROBENZOATE, Sodium 3,5-difluorobenzoate;, 3,5-difluorobenzoic acid, sodium salt
| Molecular Formula | C7H3F2NaO2 |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | -2.6677 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.99988 |
| Heavy Atoms | 12 |
| Complexity | 281.2079 |
Chemical Identifiers
| CAS Number | 530141-39-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1F)F)C(=O)[O-].[Na+] |
Product Overview
Benzoic acid, 3,5-difluoro-, sodium salt (1:1) (CAS 530141-39-0), with molecular formula C7H3F2NaO2 and molecular weight 180.00 g/mol. IUPAC: sodium 3,5-difluorobenzoate.
Chemical Property Profile of Benzoic acid, 3,5-difluoro-, sodium salt (1:1)
Property Insights of Benzoic acid, 3,5-difluoro-, sodium salt (1:1)
The XLogP value of -2.6677 indicates that Benzoic acid, 3,5-difluoro-, sodium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, Benzoic acid, 3,5-difluoro-, sodium salt (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-difluoro-, sodium salt (1:1) has 0 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 Benzoic acid, 3,5-difluoro-, sodium salt (1:1)?
The CAS number of Benzoic acid, 3,5-difluoro-, sodium salt (1:1) is 530141-39-0.
What is the molecular formula of Benzoic acid, 3,5-difluoro-, sodium salt (1:1)?
The molecular formula of Benzoic acid, 3,5-difluoro-, sodium salt (1:1) is C7H3F2NaO2.
What is the molecular weight of Benzoic acid, 3,5-difluoro-, sodium salt (1:1)?
The molecular weight of Benzoic acid, 3,5-difluoro-, sodium salt (1:1) is 180.00 g/mol.
Where can I buy Benzoic acid, 3,5-difluoro-, sodium salt (1:1)?
You can request a quote for Benzoic acid, 3,5-difluoro-, sodium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-difluoro-, sodium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-difluoro-, sodium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.