2,6-二氟苯甲酸
TL;DR: 2,6-二氟苯甲酸 (CAS 385-00-2) is a chemical compound with molecular formula C7H4F2O2 and molecular weight 158.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二氟苯甲酸
2,6-difluorobenzoic acid
Also Known As: 2,6-DIFLUOROBENZOIC ACID, Benzoic acid, 2,6-difluoro-, 2,6-Difluorobenzoicacid, qvr bf ff, Lufenuron metabolite
| Molecular Formula | C7H4F2O2 |
|---|---|
| Molecular Weight | 158.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.01793 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
| Vapor Pressure | 0.02 [mmHg] |
Chemical Identifiers
| CAS Number | 385-00-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)O)F |
| InChIKey | ONOTYLMNTZNAQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二氟苯甲酸 (CAS 385-00-2), with molecular formula C7H4F2O2 and molecular weight 158.02 g/mol. IUPAC: 2,6-difluorobenzoic acid.
Chemical Property Profile of 2,6-二氟苯甲酸
Property Insights of 2,6-二氟苯甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二氟苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2,6-二氟苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二氟苯甲酸 has 1 hydrogen bond donor(s) and 4 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 2,6-二氟苯甲酸?
The CAS number of 2,6-二氟苯甲酸 is 385-00-2.
What is the molecular formula of 2,6-二氟苯甲酸?
The molecular formula of 2,6-二氟苯甲酸 is C7H4F2O2.
What is the molecular weight of 2,6-二氟苯甲酸?
The molecular weight of 2,6-二氟苯甲酸 is 158.02 g/mol.
Where can I buy 2,6-二氟苯甲酸?
You can request a quote for 2,6-二氟苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二氟苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氟苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.