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Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate
TL;DR: Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate (CAS 487035-65-4) is a chemical compound with molecular formula C17H17N5O5 and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetate
Also Known As: Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate, ethyl 2-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetate, ethyl N-[6-(benzylamino)-7-nitro-2,1,3-benzoxadiazol-4-yl]glycinate, ethyl 2-((6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)acetate
| Molecular Formula | C17H17N5O5 |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 2.7181 |
| Topological Polar Surface Area | 132.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.12296 |
| Heavy Atoms | 27 |
| Complexity | 957.00745 |
Chemical Identifiers
| CAS Number | 487035-65-4 |
|---|---|
| SMILES | CCOC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCC3=CC=CC=C3 |
Product Overview
Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate (CAS 487035-65-4), with molecular formula C17H17N5O5 and molecular weight 371.12 g/mol. IUPAC: ethyl 2-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetate.
Chemical Property Profile of Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate
Property Insights of Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate
The XLogP value of 2.7181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate. The TPSA of 132.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate. Following Lipinski's Rule of Five, Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate has 2 hydrogen bond donor(s) and 9 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 (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate?
The CAS number of Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate is 487035-65-4.
What is the molecular formula of Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate?
The molecular formula of Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate is C17H17N5O5.
What is the molecular weight of Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate?
The molecular weight of Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate is 371.12 g/mol.
Where can I buy Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate?
You can request a quote for Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (6-(benzylamino)-7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.