methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
TL;DR: methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate (CAS 861348-36-9) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate
Also Known As: methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate, methyl 4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate, Methyl 4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylate, AO-080/43441780, A4144/0176571
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 0.8284 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 455.29782 |
Chemical Identifiers
| CAS Number | 861348-36-9 |
|---|---|
| SMILES | CN1C(=O)COC2=C1C=C(C=C2)C(=O)OC |
Product Overview
methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate (CAS 861348-36-9), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: methyl 4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate.
Chemical Property Profile of methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
Property Insights of methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
The XLogP value of 0.8284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate has 0 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 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
The CAS number of methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate is 861348-36-9.
What is the molecular formula of methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
The molecular formula of methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate is C11H11NO4.
What is the molecular weight of methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
The molecular weight of methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate is 221.07 g/mol.
Where can I buy methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
You can request a quote for methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.