![2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid structure](/static/products/4391/439107-43-4.webp)
2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid
TL;DR: 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid (CAS 439107-43-4) is a chemical compound with molecular formula C23H16FNO5 and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbonyl]benzoic acid
Also Known As: 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid, 2-[4-[(3-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbonyl]benzoic acid, 2-{4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl}benzoic acid, 2-{4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl}benzoicacid, 2-[[4-[(3-Fluorophenyl)methyl]-3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl]carbonyl]benzoic acid
| Molecular Formula | C23H16FNO5 |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 3.6805 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.10126 |
| Heavy Atoms | 30 |
| Complexity | 1173.76 |
Chemical Identifiers
| CAS Number | 439107-43-4 |
|---|---|
| SMILES | C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)CC4=CC(=CC=C4)F |
Product Overview
2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid (CAS 439107-43-4), with molecular formula C23H16FNO5 and molecular weight 405.10 g/mol. IUPAC: 2-[4-[(3-fluorophenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbonyl]benzoic acid.
Chemical Property Profile of 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid
Property Insights of 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid
The XLogP value of 3.6805 indicates that 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid. Following Lipinski's Rule of Five, 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid 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-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid?
The CAS number of 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid is 439107-43-4.
What is the molecular formula of 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid?
The molecular formula of 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid is C23H16FNO5.
What is the molecular weight of 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid?
The molecular weight of 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid is 405.10 g/mol.
Where can I buy 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid?
You can request a quote for 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(3-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.