1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester
TL;DR: 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester (CAS 121635-53-8) is a chemical compound with molecular formula C15H19ClN2O3 and molecular weight 310.10843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-(2-chloroacetyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate
Also Known As: 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester, ethyl 5-(2-chloroacetyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate, Ethyl 5-(chloroacetyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate, Ethyl 2-(2-chloroacetyl)-3-methyl-2,6-diazabicyclo[5.4.0]undeca-7,9,11-triene-5-carboxylate
Technical Specifications
| Molecular Formula | C15H19ClN2O3 |
| Molecular Weight | 310.10843 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.10843 Da |
| Heavy Atoms | 21 |
| Complexity | 391.0 |
| SMILES | CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)CCl)C |
| InChIKey | UJOFAATXQZDFFZ-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester
Property Insights of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 58.6 Ų, 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester has 1 hydrogen bond donor(s) and 4 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-5-(chloroacetyl)-4-methyl-, ethyl ester?
The CAS number of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester is 121635-53-8.
What is the molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester?
The molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester is C15H19ClN2O3.
What is the molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester?
The molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester is 310.10843 g/mol.
Where can I buy 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester?
You can request a quote for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, 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-5-(chloroacetyl)-4-methyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(chloroacetyl)-4-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.