![4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid structure](/static/products/5787/578700-57-9.webp)
4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
TL;DR: 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 578700-57-9) is a chemical compound with molecular formula C27H28N2O6 and molecular weight 476.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(4-methoxycarbonylphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
Also Known As: 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid, 4-(11-(4-(methoxycarbonyl)phenyl)-3,3-dimethyl-1-oxo-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid, 4-[6-(4-methoxycarbonylphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid, 4-{1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid, 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo(2,3,4-trihydro-5H,11H-ben zo[b]benzo[2,1-f]1,4-diazepin-10-yl)}-4-oxobutanoic acid
| Molecular Formula | C27H28N2O6 |
|---|---|
| Molecular Weight | 476.19 g/mol |
| LogP | 4.481 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.19473 |
| Heavy Atoms | 35 |
| Complexity | 1228.4875 |
Chemical Identifiers
| CAS Number | 578700-57-9 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CCC(=O)O)C4=CC=C(C=C4)C(=O)OC)C(=O)C1)C |
Product Overview
4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid (CAS 578700-57-9), with molecular formula C27H28N2O6 and molecular weight 476.19 g/mol. IUPAC: 4-[6-(4-methoxycarbonylphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Property Insights of 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
The XLogP value of 4.481 indicates that 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-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 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-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-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-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 6 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-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
The CAS number of 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is 578700-57-9.
What is the molecular formula of 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
The molecular formula of 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is C27H28N2O6.
What is the molecular weight of 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid?
The molecular weight of 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid is 476.19 g/mol.
Where can I buy 4-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-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-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-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-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-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-{11-[4-(methoxycarbonyl)phenyl]-3,3-dimethyl-1-oxo-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.