2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester
TL;DR: 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester (CAS 78587-62-9) is a chemical compound with molecular formula C17H12ClNO4 and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-chlorophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate
Also Known As: 2H-1,4-BENZOXAZINE-6-ACETIC ACID, 3-(4-CHLOROPHENYL)-2-OXO-, METHYL ESTER, 3-(4-Chlorophenyl)-2-oxo-2H-1,4-benzoxazine-6-acetic acid methyl ester, methyl 2-[3-(4-chlorophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate, Methyl [3-(4-chlorophenyl)-2-oxo-2H-1,4-benzoxazin-6-yl]acetate, BRN 4539782
| Molecular Formula | C17H12ClNO4 |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.04547 |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 78587-62-9 |
|---|---|
| SMILES | COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)Cl |
| InChIKey | HPFAEXOCBAFUKT-UHFFFAOYSA-N |
Product Overview
2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester (CAS 78587-62-9), with molecular formula C17H12ClNO4 and molecular weight 329.05 g/mol. IUPAC: methyl 2-[3-(4-chlorophenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate.
Chemical Property Profile of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester
Property Insights of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester
The XLogP value of 3.3 indicates that 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-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-chlorophenyl)-2-oxo-, methyl ester. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-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
Frequently Asked Questions
What is the CAS number of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester?
The CAS number of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester is 78587-62-9.
What is the molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester?
The molecular formula of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester is C17H12ClNO4.
What is the molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester?
The molecular weight of 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester is 329.05 g/mol.
Where can I buy 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester?
You can request a quote for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-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-chlorophenyl)-2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.