2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester
TL;DR: 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester (CAS 78597-73-6) is a chemical compound with molecular formula C17H12BrNO4 and molecular weight 372.99496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[3-(4-bromophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate
Also Known As: 2H-1,4-BENZOXAZINE-6-ACETIC ACID, 3-(4-BROMOPHENYL)-2-OXO-, METHYL ESTER, 3-(4-Bromophenyl)-2-oxo-2H-1,4-benzoxazine-6-acetic acid methyl ester, Methyl [3-(4-bromophenyl)-2-oxo-2H-1,4-benzoxazin-6-yl]acetate, methyl 2-[3-(4-bromophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate, BRN 4539787
Technical Specifications
| Molecular Formula | C17H12BrNO4 |
| Molecular Weight | 372.99496 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.99496 Da |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
| SMILES | COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)Br |
| InChIKey | YTARYBDBZBKRGG-UHFFFAOYSA-N |
Chemical Property Profile of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester
Property Insights of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester
The XLogP value of 3.4 indicates that 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester?
The CAS number of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester is 78597-73-6.
What is the molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester?
The molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester is C17H12BrNO4.
What is the molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester?
The molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester is 372.99496 g/mol.
Where can I buy 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester?
You can request a quote for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-bromophenyl)-2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.