4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester
TL;DR: 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester (CAS 26673-71-2) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
Also Known As: ethyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate, Ethyl (3-Oxo-2,3-Dihydro-4h-1,4-Benzoxazin-4-Yl)acetate, 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester, BAS 07153607, J1.035.494C
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.9751 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 443.8867 |
Chemical Identifiers
| CAS Number | 26673-71-2 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)COC2=CC=CC=C21 |
Product Overview
4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester (CAS 26673-71-2), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: ethyl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.
Chemical Property Profile of 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester
Property Insights of 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester
The XLogP value of 0.9751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 55.84 Ų, 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester?
The CAS number of 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester is 26673-71-2.
What is the molecular formula of 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester?
The molecular formula of 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester is C12H13NO4.
What is the molecular weight of 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester?
The molecular weight of 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester is 235.08 g/mol.
Where can I buy 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester?
You can request a quote for 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,4-Benzoxazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.