ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate
TL;DR: ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate (CAS 726153-48-6) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate
Also Known As: ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate, 4-Amino-2-ethyl-1H-benzo[b][1,4]diazepine-3-carboxylic acid ethyl ester, ethyl4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate, ethyl 4-amino-2-ethyl-1H-benzo[b]1,4-diazepine-3-carboxylate, ethyl 2-ethyl-4-imino-1,5-dihydro-1,5-benzodiazepine-3-carboxylate
| Molecular Formula | C14H17N3O2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 2.328 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.13208 |
| Heavy Atoms | 19 |
| Complexity | 561.56445 |
Chemical Identifiers
| CAS Number | 726153-48-6 |
|---|---|
| SMILES | CCC1=C(C(=NC2=CC=CC=C2N1)N)C(=O)OCC |
Product Overview
ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate (CAS 726153-48-6), with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol. IUPAC: ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate.
Chemical Property Profile of ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate
Property Insights of ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate
The XLogP value of 2.328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate has 2 hydrogen bond donor(s) and 5 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 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate?
The CAS number of ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate is 726153-48-6.
What is the molecular formula of ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate?
The molecular formula of ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate is C14H17N3O2.
What is the molecular weight of ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate?
The molecular weight of ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate is 259.13 g/mol.
Where can I buy ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate?
You can request a quote for ethyl 4-amino-2-ethyl-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 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.