2,6-二氟苯甲酸甲酯
TL;DR: 2,6-二氟苯甲酸甲酯 (CAS 13671-58-4) is a chemical compound with molecular formula C8H6F2O2 and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二氟苯甲酸甲酯
methyl 2,6-difluorobenzoate
Also Known As: Methyl 2,6-difluorobenzoate, beclomethasone, Benzoic acid, 2,6-difluoro-, methyl ester, 2,6-Difluorobenzoic acid, methyl ester, 2-(Octahydro-indol-3-yl)-ethanol
| Molecular Formula | C8H6F2O2 |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.03358 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 13671-58-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC=C1F)F |
| InChIKey | QNPFLTKQLFSKBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二氟苯甲酸甲酯 (CAS 13671-58-4), with molecular formula C8H6F2O2 and molecular weight 172.03 g/mol. IUPAC: methyl 2,6-difluorobenzoate.
Chemical Property Profile of 2,6-二氟苯甲酸甲酯
Property Insights of 2,6-二氟苯甲酸甲酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二氟苯甲酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-二氟苯甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二氟苯甲酸甲酯 has 0 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 2,6-二氟苯甲酸甲酯?
The CAS number of 2,6-二氟苯甲酸甲酯 is 13671-58-4.
What is the molecular formula of 2,6-二氟苯甲酸甲酯?
The molecular formula of 2,6-二氟苯甲酸甲酯 is C8H6F2O2.
What is the molecular weight of 2,6-二氟苯甲酸甲酯?
The molecular weight of 2,6-二氟苯甲酸甲酯 is 172.03 g/mol.
Where can I buy 2,6-二氟苯甲酸甲酯?
You can request a quote for 2,6-二氟苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二氟苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氟苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.