Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
TL;DR: Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate (CAS 202195-67-3) 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.
methyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate
Also Known As: methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate, methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylate, TimTec1_002821, methyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate, 2H-1,4-BENZOXAZINE-6-CARBOXYLIC ACID, 3,4-DIHYDRO-3-OXO-, METHYL ESTER
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 0.8041 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 427.4306 |
Chemical Identifiers
| CAS Number | 202195-67-3 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)OCC(=O)N2 |
Product Overview
Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate (CAS 202195-67-3), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: methyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate.
Chemical Property Profile of Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
Property Insights of Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
The XLogP value of 0.8041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate. Following Lipinski's Rule of Five, Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate 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 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
The CAS number of Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate is 202195-67-3.
What is the molecular formula of Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
The molecular formula of Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate is C10H9NO4.
What is the molecular weight of Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
The molecular weight of Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate is 207.05 g/mol.
Where can I buy Methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
You can request a quote for 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 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 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.