Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate
TL;DR: Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate (CAS 121635-54-9) is a chemical compound with molecular formula C17H24N2O3 and molecular weight 304.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-butanoyl-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-4-methyl-5-(1-oxobutyl)-, ethyl ester, Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate, ethyl 5-butanoyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate, RefChem:1084977
| Molecular Formula | C17H24N2O3 |
|---|---|
| Molecular Weight | 304.18 g/mol |
| LogP | 2.9555 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.17868 |
| Heavy Atoms | 22 |
| Complexity | 544.4605 |
Chemical Identifiers
| CAS Number | 121635-54-9 |
|---|---|
| SMILES | CCCC(=O)N1C(CC(NC2=CC=CC=C21)C(=O)OCC)C |
Product Overview
Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate (CAS 121635-54-9), with molecular formula C17H24N2O3 and molecular weight 304.18 g/mol. IUPAC: ethyl 5-butanoyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate.
Chemical Property Profile of Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate
Property Insights of Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate
The XLogP value of 2.9555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate. With a topological polar surface area (TPSA) of 58.64 Ų, Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate?
The CAS number of Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate is 121635-54-9.
What is the molecular formula of Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate?
The molecular formula of Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate is C17H24N2O3.
What is the molecular weight of Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate?
The molecular weight of Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate is 304.18 g/mol.
Where can I buy Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate?
You can request a quote for Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-butanoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.