(6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
TL;DR: (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid (CAS 924976-65-8) 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-(6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
Also Known As: (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid, 2-(3,5-dimethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-1,3,5-trien-10-yl)acetic Acid
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.11344 |
| 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 | 495.52414 |
Chemical Identifiers
| CAS Number | 924976-65-8 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N(C(=O)CO2)CC(=O)O)C |
Product Overview
(6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid (CAS 924976-65-8), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 2-(6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid.
Chemical Property Profile of (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
Property Insights of (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid
The XLogP value of 1.11344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6,8-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 (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid. Following Lipinski's Rule of Five, (6,8-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 (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
The CAS number of (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid is 924976-65-8.
What is the molecular formula of (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
The molecular formula of (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid is C12H13NO4.
What is the molecular weight of (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
The molecular weight of (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid is 235.08 g/mol.
Where can I buy (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
You can request a quote for (6,8-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 (6,8-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6,8-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.