(2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
TL;DR: (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid (CAS 838099-40-4) 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.
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
Also Known As: ASN 07153781, (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid, 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid, 4H-1,4-benzoxazine-4-acetic acid, 2,3-dihydro-2,6-dimethyl-3-oxo-, (2,6-Dimethyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetic acid
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.19352 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 483.394 |
Chemical Identifiers
| CAS Number | 838099-40-4 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(=O)O |
Product Overview
(2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid (CAS 838099-40-4), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid.
Chemical Property Profile of (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
Property Insights of (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
The XLogP value of 1.19352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,6-Dimethyl-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 (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid. Following Lipinski's Rule of Five, (2,6-Dimethyl-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 (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
The CAS number of (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid is 838099-40-4.
What is the molecular formula of (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
The molecular formula of (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid is C12H13NO4.
What is the molecular weight of (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
The molecular weight of (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid is 235.08 g/mol.
Where can I buy (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
You can request a quote for (2,6-Dimethyl-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 (2,6-Dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dimethyl-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.