2-氯-3,4,5,6-四氟苯甲酸
TL;DR: 2-氯-3,4,5,6-四氟苯甲酸 (CAS 1868-80-0) is a chemical compound with molecular formula C7HClF4O2 and molecular weight 227.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-3,4,5,6-四氟苯甲酸
2-chloro-3,4,5,6-tetrafluorobenzoic acid
Also Known As: 2-chloro-3,4,5,6-tetrafluorobenzoic acid, 6-CHLORO-2,3,4,5-TETRAFLUOROBENZOIC ACID, 2,3,4,5-TETRAFLUORO-6-CHLOROBENZOIC ACID, C7HClF4O2, 2-Chloro-3,4,5,6-tetrafluoro-benzoic acid
| Molecular Formula | C7HClF4O2 |
|---|---|
| Molecular Weight | 227.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.96011 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 1868-80-0 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)F)F)F)F)C(=O)O |
| InChIKey | FTLLRNYFQGXOTN-UHFFFAOYSA-N |
Product Overview
2-氯-3,4,5,6-四氟苯甲酸 (CAS 1868-80-0), with molecular formula C7HClF4O2 and molecular weight 227.96 g/mol. IUPAC: 2-chloro-3,4,5,6-tetrafluorobenzoic acid.
Chemical Property Profile of 2-氯-3,4,5,6-四氟苯甲酸
Property Insights of 2-氯-3,4,5,6-四氟苯甲酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-3,4,5,6-四氟苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-氯-3,4,5,6-四氟苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-3,4,5,6-四氟苯甲酸 has 1 hydrogen bond donor(s) and 6 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-氯-3,4,5,6-四氟苯甲酸?
The CAS number of 2-氯-3,4,5,6-四氟苯甲酸 is 1868-80-0.
What is the molecular formula of 2-氯-3,4,5,6-四氟苯甲酸?
The molecular formula of 2-氯-3,4,5,6-四氟苯甲酸 is C7HClF4O2.
What is the molecular weight of 2-氯-3,4,5,6-四氟苯甲酸?
The molecular weight of 2-氯-3,4,5,6-四氟苯甲酸 is 227.96 g/mol.
Where can I buy 2-氯-3,4,5,6-四氟苯甲酸?
You can request a quote for 2-氯-3,4,5,6-四氟苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-3,4,5,6-四氟苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-3,4,5,6-四氟苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.