4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-
TL;DR: 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo- (CAS 91119-94-7) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
Also Known As: 4H-1,4-BENZOXAZINE-4-ACETIC ACID, 6-ACETYL-2,3-DIHYDRO-3-OXO-, 6-Acetyl-4-carboxymethyl-2H-1,4-benzoxazin-3(4H)-one, 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid, 6-Acetyl-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-acetic acid, (6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 91119-94-7 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)O |
| InChIKey | HGSUZDHHTKSDHN-UHFFFAOYSA-N |
Product Overview
4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo- (CAS 91119-94-7), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid.
Chemical Property Profile of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-
Property Insights of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-. The TPSA of 83.9 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-. Following Lipinski's Rule of Five, 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo- has 1 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-?
The CAS number of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo- is 91119-94-7.
What is the molecular formula of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-?
The molecular formula of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo- is C12H11NO5.
What is the molecular weight of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-?
The molecular weight of 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo- is 249.06 g/mol.
Where can I buy 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo-?
You can request a quote for 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo- 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-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.