2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester
TL;DR: 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester (CAS 78587-63-0) is a chemical compound with molecular formula C17H12FNO4 and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate
Also Known As: 2H-1,4-BENZOXAZINE-6-ACETIC ACID, 3-(4-FLUOROPHENYL)-2-OXO-, METHYL ESTER, 3-(4-Fluorophenyl)-2-oxo-2H-1,4-benzoxazine-6-acetic acid methyl ester, methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate, Methyl [3-(4-fluorophenyl)-2-oxo-2H-1,4-benzoxazin-6-yl]acetate, BRN 4539779
| Molecular Formula | C17H12FNO4 |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.07504 |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 78587-63-0 |
|---|---|
| SMILES | COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)F |
| InChIKey | RWKOWSMSXFGAMT-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester (CAS 78587-63-0), with molecular formula C17H12FNO4 and molecular weight 313.08 g/mol. IUPAC: methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate.
Chemical Property Profile of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester
Property Insights of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester. 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-fluorophenyl)-2-oxo-, methyl ester. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, 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 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester?
The CAS number of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester is 78587-63-0.
What is the molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester?
The molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester is C17H12FNO4.
What is the molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester?
The molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester is 313.08 g/mol.
Where can I buy 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester?
You can request a quote for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-fluorophenyl)-2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.