![ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate structure](/static/products/7008/700849-32-7.webp)
ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate
TL;DR: ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate (CAS 700849-32-7) is a chemical compound with molecular formula C26H30N4O3 and molecular weight 446.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
Also Known As: ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate, ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}-3-piperidinecarboxylate, ethyl 1-(2-((4-methyl-3-phenyl-3H-benzo[b][1,4]diazepin-2-yl)amino)-2-oxoethyl)piperidine-3-carboxylate, ethyl 1-[2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl]piperidine-3-carboxylate, ethyl 1-{[N-(4-methyl-3-phenyl-3H-benzo[b]1,4-diazepin-2-yl)carbamoyl]methyl}p iperidine-3-carboxylate
| Molecular Formula | C26H30N4O3 |
|---|---|
| Molecular Weight | 446.23 g/mol |
| LogP | 3.9977 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.23178 |
| Heavy Atoms | 33 |
| Complexity | 1064.2166 |
Chemical Identifiers
| CAS Number | 700849-32-7 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)CC(=O)NC2=NC3=CC=CC=C3N=C(C2C4=CC=CC=C4)C |
Product Overview
ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate (CAS 700849-32-7), with molecular formula C26H30N4O3 and molecular weight 446.23 g/mol. IUPAC: ethyl 1-[2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl]piperidine-3-carboxylate.
Chemical Property Profile of ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate
Property Insights of ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate
The XLogP value of 3.9977 indicates that ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate has 1 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 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate?
The CAS number of ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate is 700849-32-7.
What is the molecular formula of ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate?
The molecular formula of ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate is C26H30N4O3.
What is the molecular weight of ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate?
The molecular weight of ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate is 446.23 g/mol.
Where can I buy ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate?
You can request a quote for ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-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 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-{2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl}piperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.