![4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid structure](/static/products/731/731836-96-7.png)
4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid
TL;DR: 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid (CAS 731836-96-7) is a chemical compound with molecular formula C33H32N2O8 and molecular weight 584.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[9-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid, 4-{3-(3,4-dimethoxyphenyl)-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, 4-[9-(3,4-dimethoxyphenyl)-6-(4-methoxycarbonylphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid, 4-{3-(3,4-dimethoxyphenyl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
| Molecular Formula | C33H32N2O8 |
|---|---|
| Molecular Weight | 584.22 g/mol |
| LogP | 5.2558 |
| Topological Polar Surface Area | 131.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 584.2159 |
| Heavy Atoms | 43 |
| Complexity | 1611.329 |
Chemical Identifiers
| CAS Number | 731836-96-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=C(C=C5)C(=O)OC)C(=O)C2)OC |
Product Overview
4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid (CAS 731836-96-7), with molecular formula C33H32N2O8 and molecular weight 584.22 g/mol. IUPAC: 4-[9-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid
Property Insights of 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid
The XLogP value of 5.2558 indicates that 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 8 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-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid?
The CAS number of 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid is 731836-96-7.
What is the molecular formula of 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid?
The molecular formula of 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid is C33H32N2O8.
What is the molecular weight of 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid?
The molecular weight of 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid is 584.22 g/mol.
Where can I buy 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid?
You can request a quote for 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-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-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(3,4-dimethoxyphenyl)-1-hydroxy-11-(4-(methoxycarbonyl)phenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.