Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester
TL;DR: Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester (CAS 87620-74-4) is a chemical compound with molecular formula C17H14N2O5 and molecular weight 326.09 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)phenyl]acetate
Also Known As: Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester, 4-(6-Nitro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester, methyl 2-[4-(6-nitro-2H-1,4-benzoxazin-3-yl)phenyl]acetate, Methyl [4-(6-nitro-2H-1,4-benzoxazin-3-yl)phenyl]acetate, BRN 4562339
| Molecular Formula | C17H14N2O5 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 2.8235 |
| Topological Polar Surface Area | 91.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.09027 |
| Heavy Atoms | 24 |
| Complexity | 827.3746 |
Chemical Identifiers
| CAS Number | 87620-74-4 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2 |
Product Overview
Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester (CAS 87620-74-4), with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol. IUPAC: methyl 2-[4-(6-nitro-2H-1,4-benzoxazin-3-yl)phenyl]acetate.
Chemical Property Profile of Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester
Property Insights of Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester
The XLogP value of 2.8235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester. The TPSA of 91.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester has 0 hydrogen bond donor(s) and 6 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)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester is 87620-74-4.
What is the molecular formula of Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester is C17H14N2O5.
What is the molecular weight of Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester is 326.09 g/mol.
Where can I buy Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, 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)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.