Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate
TL;DR: Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate (CAS 104662-85-3) 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.
methyl 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetate
Also Known As: ChemDiv2_007492, methyl 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetate, IDI1_006207, Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate, 2H-1,4-Benzoxazine-2-aceticacid, 3,4-dihydro-6-methyl-3-oxo-, methyl ester
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.25762 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 469.5735 |
Chemical Identifiers
| CAS Number | 104662-85-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)OC |
Product Overview
Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate (CAS 104662-85-3), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: methyl 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetate.
Chemical Property Profile of Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate
Property Insights of Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate
The XLogP value of 1.25762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate. Following Lipinski's Rule of Five, Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate has 1 hydrogen bond donor(s) and 4 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 Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate?
The CAS number of Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate is 104662-85-3.
What is the molecular formula of Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate?
The molecular formula of Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate is C12H13NO4.
What is the molecular weight of Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate?
The molecular weight of Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate is 235.08 g/mol.
Where can I buy Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate?
You can request a quote for Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.