1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester
TL;DR: 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester (CAS 144401-02-5) is a chemical compound with molecular formula C40H42N4O6 and molecular weight 674.3104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-[2-(2-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoacetyl]-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate
Also Known As: 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester, Diethyl 5,5'-(1,2-dioxoethane-1,2-diyl)bis(2-methyl-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate), ethyl 5-[2-(2-ethoxycarbonyl-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoacetyl]-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate
Technical Specifications
| Molecular Formula | C40H42N4O6 |
| Molecular Weight | 674.3104 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 674.3104 Da |
| Heavy Atoms | 50 |
| Complexity | 1130.0 |
| SMILES | CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)C(=O)N3C(CC(NC4=CC=CC=C43)(C)C(=O)OCC)C5=CC=CC=C5)C6=CC=CC=C6)C |
| InChIKey | YDSAGAIIANWYCB-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester
Property Insights of 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester
The XLogP value of 7.0 indicates that 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester?
The CAS number of 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester is 144401-02-5.
What is the molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester?
The molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester is C40H42N4O6.
What is the molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester?
The molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester is 674.3104 g/mol.
Where can I buy 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester?
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Does CoreyChem offer custom synthesis for 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-1,5-Benzodiazepine-2-carboxylic acid, 5,5'-(1,2-dioxo-1,2-ethanediyl)bis(2,3,4,5-tetrahydro-2-methyl-4-phenyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.