4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester
TL;DR: 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester (CAS 91119-93-6) is a chemical compound with molecular formula C14H15NO5 and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetate
Also Known As: 4H-1,4-BENZOXAZINE-4-ACETIC ACID, 6-ACETYL-2,3-DIHYDRO-3-OXO-, ETHYL ESTER, 6-Acetyl-4-ethoxycarbonylmethyl-2H-1,4-benzoxazin-3(4H)-one, 6-Acetyl-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid ethyl ester, ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetate, ethyl (6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
| Molecular Formula | C14H15NO5 |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.09503 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 91119-93-6 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)COC2=C1C=C(C=C2)C(=O)C |
| InChIKey | XCKOXVMXFRSHCG-UHFFFAOYSA-N |
Product Overview
4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester (CAS 91119-93-6), with molecular formula C14H15NO5 and molecular weight 277.10 g/mol. IUPAC: ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetate.
Chemical Property Profile of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester
Property Insights of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester. Following Lipinski's Rule of Five, 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl 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 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester?
The CAS number of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester is 91119-93-6.
What is the molecular formula of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester?
The molecular formula of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester is C14H15NO5.
What is the molecular weight of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester?
The molecular weight of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester is 277.10 g/mol.
Where can I buy 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester?
You can request a quote for 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-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, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.