(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
TL;DR: (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid (CAS 26494-55-3) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1,4-benzoxazin-4-yl)acetic acid
Also Known As: aceticacid, (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid, ChemDiv2_008277, 2-(3-Oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)acetic acid, 2-(3-oxo-1,4-benzoxazin-4-yl)acetic acid
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 0.4966 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 415.63834 |
Chemical Identifiers
| CAS Number | 26494-55-3 |
|---|---|
| SMILES | C1C(=O)N(C2=CC=CC=C2O1)CC(=O)O |
Product Overview
(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid (CAS 26494-55-3), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 2-(3-oxo-1,4-benzoxazin-4-yl)acetic acid.
Chemical Property Profile of (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
Property Insights of (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
The XLogP value of 0.4966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid. Following Lipinski's Rule of Five, (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid has 1 hydrogen bond donor(s) and 3 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 (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
The CAS number of (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid is 26494-55-3.
What is the molecular formula of (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
The molecular formula of (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid is C10H9NO4.
What is the molecular weight of (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
The molecular weight of (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid is 207.05 g/mol.
Where can I buy (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
You can request a quote for (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.