4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester
TL;DR: 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester (CAS 91119-95-8) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetate
Also Known As: 6-Acetyl-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid methyl ester, 4H-1,4-BENZOXAZINE-4-ACETIC ACID, 6-ACETYL-2,3-DIHYDRO-3-OXO-, METHYL ESTER, methyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetate, methyl (6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate, RefChem:1071811
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 91119-95-8 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)OC |
| InChIKey | NFYSFNBYBHZWAL-UHFFFAOYSA-N |
Product Overview
4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester (CAS 91119-95-8), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: methyl 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-, methyl ester
Property Insights of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl 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-, methyl ester. Following Lipinski's Rule of Five, 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-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 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester?
The CAS number of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester is 91119-95-8.
What is the molecular formula of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester?
The molecular formula of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester is C13H13NO5.
What is the molecular weight of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester?
The molecular weight of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester is 263.08 g/mol.
Where can I buy 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester?
You can request a quote for 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-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 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.