Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate
TL;DR: Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate (CAS 109266-84-4) is a chemical compound with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]acetate
Also Known As: Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate, Benzeneacetic acid, 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester, methyl 2-[4-[(2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]acetate, Methyl {4-[(2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl}acetate, RefChem:324141
| Molecular Formula | C18H17N3O5 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 3.2333 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.11682 |
| Heavy Atoms | 26 |
| Complexity | 876.8953 |
Chemical Identifiers
| CAS Number | 109266-84-4 |
|---|---|
| SMILES | CC1C(=NC2=C(O1)C=CC(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)CC(=O)OC |
Product Overview
Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate (CAS 109266-84-4), with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol. IUPAC: methyl 2-[4-[(2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]acetate.
Chemical Property Profile of Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate
Property Insights of Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate
The XLogP value of 3.2333 indicates that Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate. Following Lipinski's Rule of Five, Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate has 1 hydrogen bond donor(s) and 7 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 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
The CAS number of Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate is 109266-84-4.
What is the molecular formula of Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
The molecular formula of Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate is C18H17N3O5.
What is the molecular weight of Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
The molecular weight of Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate is 355.12 g/mol.
Where can I buy Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
You can request a quote for Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((2-methyl-6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.