![Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate structure](/static/products/850/850193-56-5.png)
Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate
TL;DR: Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate (CAS 850193-56-5) is a chemical compound with molecular formula C9H8N4O5 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetate
Also Known As: methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate, methyl 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetate, Methyl 2-[(5-nitro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)amino]acetate
| Molecular Formula | C9H8N4O5 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 0.7159 |
| Topological Polar Surface Area | 120.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.04947 |
| Heavy Atoms | 18 |
| Complexity | 608.02386 |
Chemical Identifiers
| CAS Number | 850193-56-5 |
|---|---|
| SMILES | COC(=O)CNC1=CC=C(C2=NON=C12)[N+](=O)[O-] |
Product Overview
Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate (CAS 850193-56-5), with molecular formula C9H8N4O5 and molecular weight 252.05 g/mol. IUPAC: methyl 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetate.
Chemical Property Profile of Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate
Property Insights of Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate
The XLogP value of 0.7159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate. The TPSA of 120.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate. Following Lipinski's Rule of Five, Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate has 1 hydrogen bond donor(s) and 8 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 Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate?
The CAS number of Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate is 850193-56-5.
What is the molecular formula of Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate?
The molecular formula of Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate is C9H8N4O5.
What is the molecular weight of Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate?
The molecular weight of Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate is 252.05 g/mol.
Where can I buy Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate?
You can request a quote for Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.