Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester
TL;DR: Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester (CAS 109226-93-9) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2H-1,4-benzoxazin-3-ylamino)phenyl]acetate
Also Known As: Methyl 4-(2H-1,4-benzoxazin-3-ylamino)benzeneacetate, Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester, methyl 2-[4-(2H-1,4-benzoxazin-3-ylamino)phenyl]acetate, Methyl {4-[(2H-1,4-benzoxazin-3-yl)amino]phenyl}acetate, BRN 5983687
| Molecular Formula | C17H16N2O3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 2.9366 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.1161 |
| Heavy Atoms | 22 |
| Complexity | 708.09894 |
Chemical Identifiers
| CAS Number | 109226-93-9 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3OC2 |
Product Overview
Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester (CAS 109226-93-9), with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol. IUPAC: methyl 2-[4-(2H-1,4-benzoxazin-3-ylamino)phenyl]acetate.
Chemical Property Profile of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester
Property Insights of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester
The XLogP value of 2.9366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester. With a topological polar surface area (TPSA) of 59.92 Ų, Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester has 1 hydrogen bond donor(s) and 5 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-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester is 109226-93-9.
What is the molecular formula of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester is C17H16N2O3.
What is the molecular weight of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester is 296.12 g/mol.
Where can I buy Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, 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-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(2H-1,4-benzoxazin-3-ylamino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.