Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate
TL;DR: Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate (CAS 91806-95-0) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate
Also Known As: ZERO/005111, ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate, ethyl (4-oxo-4,5-dihydro-1{H}-1,5-benzodiazepin-2-yl)acetate, ethyl 2-(4-oxo-4,5-dihydro-1H-benzo[b][1,4]diazepin-2-yl)acetate, ethyl (4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 91806-95-0 |
|---|---|
| SMILES | CCOC(=O)CC1=CC(=O)NC2=CC=CC=C2N1 |
| InChIKey | NDGDBPDXUSFOML-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate (CAS 91806-95-0), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate.
Chemical Property Profile of Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate
Property Insights of Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate has 2 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 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate?
The CAS number of Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate is 91806-95-0.
What is the molecular formula of Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate?
The molecular formula of Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate is C13H14N2O3.
What is the molecular weight of Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate?
The molecular weight of Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate is 246.10 g/mol.
Where can I buy Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate?
You can request a quote for Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-oxo-1,5-dihydro-1,5-benzodiazepin-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.