1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester
TL;DR: 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester (CAS 98987-09-8) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-O-ethyl 2-O-methyl 3-ethyl-4-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2,5-dicarboxylate
Also Known As: 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester, 1-Ethyl 4-methyl 3-ethyl-2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1,4-dicarboxylate, 5-O-ethyl 2-O-methyl 3-ethyl-4-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2,5-dicarboxylate
Technical Specifications
| Molecular Formula | C22H26N2O4 |
| Molecular Weight | 382.18927 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.18927 Da |
| Heavy Atoms | 28 |
| Complexity | 535.0 |
| SMILES | CCC1C(N(C2=CC=CC=C2NC1C(=O)OC)C(=O)OCC)C3=CC=CC=C3 |
| InChIKey | BJBLCKNFEVSIMV-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester
Property Insights of 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester
The XLogP value of 4.4 indicates that 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester?
The CAS number of 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester is 98987-09-8.
What is the molecular formula of 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester?
The molecular formula of 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester is C22H26N2O4.
What is the molecular weight of 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester?
The molecular weight of 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester is 382.18927 g/mol.
Where can I buy 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester?
You can request a quote for 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-1,5-Benzodiazepine-1,4-dicarboxylic acid, 2,3,4,5-tetrahydro-4-methyl-2-phenyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.