![4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid structure](/static/products/5239/523992-66-7.webp)
4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
TL;DR: 4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 523992-66-7) is a chemical compound with molecular formula C34H33F3N2O4 and molecular weight 590.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[9-(4-tert-butylphenyl)-7-oxo-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: 4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid, 4-(3-(4-(tert-butyl)phenyl)-1-oxo-11-(4-(trifluoromethyl)phenyl)-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid, 4-[9-(4-tert-butylphenyl)-7-oxo-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid, 4-{3-(4-tert-butylphenyl)-1-hydroxy-11-[4-(trifluoromethyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid, 4-{3-[4-(tert-butyl)phenyl]-1-oxo-11-[4-(trifluoromethyl)phenyl](2,3,4-trihydr o-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-10-yl)}-4-oxobutanoic acid
| Molecular Formula | C34H33F3N2O4 |
|---|---|
| Molecular Weight | 590.24 g/mol |
| LogP | 7.7683 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 590.23926 |
| Heavy Atoms | 43 |
| Complexity | 1585.5507 |
Chemical Identifiers
| CAS Number | 523992-66-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=C(C=C5)C(F)(F)F)C(=O)C2 |
Product Overview
4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 523992-66-7), with molecular formula C34H33F3N2O4 and molecular weight 590.24 g/mol. IUPAC: 4-[9-(4-tert-butylphenyl)-7-oxo-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
The XLogP value of 7.7683 indicates that 4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is 523992-66-7.
What is the molecular formula of 4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is C34H33F3N2O4.
What is the molecular weight of 4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is 590.24 g/mol.
Where can I buy 4-{3-(4-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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-tert-butylphenyl)-1-oxo-11-[4-(trifluoromethyl)phenyl]-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.