![4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid structure](/static/products/442/442570-46-9.png)
4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
TL;DR: 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 442570-46-9) is a chemical compound with molecular formula C31H27FN2O6 and molecular weight 542.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[9-(4-fluorophenyl)-6-(4-methoxycarbonylphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid, 4-(3-(4-fluorophenyl)-11-(4-(methoxycarbonyl)phenyl)-1-oxo-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid, 4-[9-(4-fluorophenyl)-6-(4-methoxycarbonylphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid, 4-{3-(4-fluorophenyl)-11-[4-(methoxycarbonyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
| Molecular Formula | C31H27FN2O6 |
|---|---|
| Molecular Weight | 542.19 g/mol |
| LogP | 5.3777 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.1853 |
| Heavy Atoms | 40 |
| Complexity | 1513.535 |
Chemical Identifiers
| CAS Number | 442570-46-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5N2C(=O)CCC(=O)O |
Product Overview
4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 442570-46-9), with molecular formula C31H27FN2O6 and molecular weight 542.19 g/mol. IUPAC: 4-[9-(4-fluorophenyl)-6-(4-methoxycarbonylphenyl)-7-oxo-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-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Property Insights of 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
The XLogP value of 5.3777 indicates that 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-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 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 6 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-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
The CAS number of 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is 442570-46-9.
What is the molecular formula of 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
The molecular formula of 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is C31H27FN2O6.
What is the molecular weight of 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
The molecular weight of 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is 542.19 g/mol.
Where can I buy 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
You can request a quote for 4-{3-(4-fluorophenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-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-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-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-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-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.