![ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate structure](/static/products/853/853352-29-1.png)
ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate
TL;DR: ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate (CAS 853352-29-1) is a chemical compound with molecular formula C27H30N4O4 and molecular weight 474.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate
Also Known As: ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate, Ethyl 2-methyl-4-{[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino}-1H-1,5-benzodiazepine-3-carboxylate
| Molecular Formula | C27H30N4O4 |
|---|---|
| Molecular Weight | 474.23 g/mol |
| LogP | 3.95622 |
| Topological Polar Surface Area | 100.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.2267 |
| Heavy Atoms | 35 |
| Complexity | 1209.1669 |
Chemical Identifiers
| CAS Number | 853352-29-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4C)C |
Product Overview
ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate (CAS 853352-29-1), with molecular formula C27H30N4O4 and molecular weight 474.23 g/mol. IUPAC: ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate.
Chemical Property Profile of ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate
Property Insights of ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate
The XLogP value of 3.95622 indicates that ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate 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
Frequently Asked Questions
What is the CAS number of ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate?
The CAS number of ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate is 853352-29-1.
What is the molecular formula of ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate?
The molecular formula of ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate is C27H30N4O4.
What is the molecular weight of ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate?
The molecular weight of ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate is 474.23 g/mol.
Where can I buy ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate?
You can request a quote for ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.