4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid
TL;DR: 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid (CAS 3265-86-9) is a chemical compound with molecular formula C17H17Cl2N3 and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dichloro-12-phenyl-10,11,12-triazapentacyclo[6.5.1.02,7.03,5.09,13]tetradec-10-ene
Also Known As: 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid, 4,4-Dichloro-12-phenyl-10,11,12-triazapentacyclo[6.5.1.0(2,7).0(3,5).0(9,13)]tetradec-10-ene, 4,4-DICHLORO-12-PHENYL-10,11,12-TRIAZAPENTACYCLO[6.5.1.0(2,7).0(3,5).0 (9,13)]TETRADEC-10-ENE, 4,7-Methano-1H-cycloprop[1,2]indeno[5,6-d]triazole,5,5-dichloro-3a,4,4a,4b,5,5a,6,6a,7,7a-decahydro-1-phenyl- (7CI,8CI), 5,5-Dichloro-3-phenyl-3a,4,4a,4b,5,5a,6,6a,7,7a-decahydro-3H-4,7-methanocyclopropa[1,2]indeno[5,6-d][1,2,3]triazole
| Molecular Formula | C17H17Cl2N3 |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 28.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.07996 |
| Heavy Atoms | 22 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 3265-86-9 |
|---|---|
| SMILES | C1C2C3CC4C(C3C1C5C2N=NN5C6=CC=CC=C6)C4(Cl)Cl |
| InChIKey | ODBOJHQQSKXVFH-UHFFFAOYSA-N |
Product Overview
4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid (CAS 3265-86-9), with molecular formula C17H17Cl2N3 and molecular weight 333.08 g/mol. IUPAC: 4,4-dichloro-12-phenyl-10,11,12-triazapentacyclo[6.5.1.02,7.03,5.09,13]tetradec-10-ene.
Chemical Property Profile of 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid
Property Insights of 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid
The XLogP value of 4.8 indicates that 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.0 Ų, 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid 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 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid?
The CAS number of 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid is 3265-86-9.
What is the molecular formula of 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid?
The molecular formula of 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid is C17H17Cl2N3.
What is the molecular weight of 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid?
The molecular weight of 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid is 333.08 g/mol.
Where can I buy 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid?
You can request a quote for 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-tetrafluoro-2-methyl-benzofuran-3-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.