Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate
TL;DR: Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate (CAS 109226-99-5) 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-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate
Also Known As: Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate, Benzeneacetic acid, alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester, methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate, METHYL 2-{4-[(6-NITRO-2H-1,4-BENZOXAZIN-3-YL)AMINO]PHENYL}PROPANOATE, BRN 6004977
| Molecular Formula | C18H17N3O5 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 3.4058 |
| 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 | 109226-99-5 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2)C(=O)OC |
Product Overview
Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate (CAS 109226-99-5), with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol. IUPAC: methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate.
Chemical Property Profile of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate
Property Insights of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate
The XLogP value of 3.4058 indicates that Methyl alpha-methyl-4-((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 alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate. Following Lipinski's Rule of Five, Methyl alpha-methyl-4-((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 alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
The CAS number of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate is 109226-99-5.
What is the molecular formula of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
The molecular formula of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate is C18H17N3O5.
What is the molecular weight of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
The molecular weight of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate is 355.12 g/mol.
Where can I buy Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
You can request a quote for Methyl alpha-methyl-4-((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 alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.