![4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid structure](/static/products/5239/523992-88-3.webp)
4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
TL;DR: 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid (CAS 523992-88-3) is a chemical compound with molecular formula C28H24FN3O4 and molecular weight 485.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[9-(4-fluorophenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid, 4-(3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid, 4-[3-(4-fluorophenyl)-1-hydroxy-11-(pyridin-3-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid, 4-[3-(4-fluorophenyl)-1-oxo-11-(3-pyridyl)(2,3,4-trihydro-5H,11H-benzo[b]benzo [2,1-f]1,4-diazepin-10-yl)]-4-oxobutanoic acid, 4-[9-(4-fluorophenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
| Molecular Formula | C28H24FN3O4 |
|---|---|
| Molecular Weight | 485.18 g/mol |
| LogP | 4.9861 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.17508 |
| Heavy Atoms | 36 |
| Complexity | 1354.7224 |
Chemical Identifiers
| CAS Number | 523992-88-3 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CN=CC=C4)C(=O)CCC(=O)O)C5=CC=C(C=C5)F |
Product Overview
4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid (CAS 523992-88-3), with molecular formula C28H24FN3O4 and molecular weight 485.18 g/mol. IUPAC: 4-[9-(4-fluorophenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Property Insights of 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
The XLogP value of 4.9861 indicates that 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 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-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid?
The CAS number of 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid is 523992-88-3.
What is the molecular formula of 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid?
The molecular formula of 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid is C28H24FN3O4.
What is the molecular weight of 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid?
The molecular weight of 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid is 485.18 g/mol.
Where can I buy 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid?
You can request a quote for 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-fluorophenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.