Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester
TL;DR: Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester (CAS 109226-94-0) is a chemical compound with molecular formula C17H15N3O5 and molecular weight 341.10 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]acetate
Also Known As: Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester, Methyl 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate, methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]acetate, Methyl {4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl}acetate, BRN 6002241
| Molecular Formula | C17H15N3O5 |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | 2.8448 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.10117 |
| Heavy Atoms | 25 |
| Complexity | 845.8619 |
Chemical Identifiers
| CAS Number | 109226-94-0 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2 |
Product Overview
Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester (CAS 109226-94-0), with molecular formula C17H15N3O5 and molecular weight 341.10 g/mol. IUPAC: methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]acetate.
Chemical Property Profile of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester
Property Insights of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester
The XLogP value of 2.8448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester. The TPSA of 103.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester 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 Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester is 109226-94-0.
What is the molecular formula of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester is C17H15N3O5.
What is the molecular weight of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester is 341.10 g/mol.
Where can I buy Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.