1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester
TL;DR: 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester (CAS 121635-61-8) is a chemical compound with molecular formula C20H29N3O3 and molecular weight 359.2209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-(1-hydroxy-1-piperidin-1-ylethyl)-4-methyl-1,2-dihydro-1,5-benzodiazepine-2-carboxylate
Also Known As: 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester, 1H-1,5-Benzodiazepine-2-carboxylicacid, 2,3,4,5-tetrahydro-4-methyl-5-[2-(1-piperidinyl)acetyl]-, ethyl ester, ethyl 5-(1-hydroxy-1-piperidin-1-ylethyl)-4-methyl-1,2-dihydro-1,5-benzodiazepine-2-carboxylate, Ethyl 5-[1-hydroxy-1-(piperidin-1-yl)ethyl]-4-methyl-2,5-dihydro-1H-1,5-benzodiazepine-2-carboxylate
Technical Specifications
| Molecular Formula | C20H29N3O3 |
| Molecular Weight | 359.2209 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.2209 Da |
| Heavy Atoms | 26 |
| Complexity | 532.0 |
| SMILES | CCOC(=O)C1C=C(N(C2=CC=CC=C2N1)C(C)(N3CCCCC3)O)C |
| InChIKey | UZISQKXUYWNUFJ-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester
Property Insights of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester
The XLogP value of 3.5 indicates that 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester 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
What is the CAS number of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester?
The CAS number of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester is 121635-61-8.
What is the molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester?
The molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester is C20H29N3O3.
What is the molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester?
The molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester is 359.2209 g/mol.
Where can I buy 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester?
You can request a quote for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-methyl-5-(1-piperidinylacetyl)-,ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.