methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
TL;DR: methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 879948-63-7) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-phenoxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
Also Known As: ChemDiv3_011716, IDI1_029274, methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, BRD-A88935121-001-01-1, methyl 4-(2-phenoxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.0326 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 731.1988 |
Chemical Identifiers
| CAS Number | 879948-63-7 |
|---|---|
| SMILES | COC(=O)C1CN(C2=CC=CC=C2O1)C(=O)COC3=CC=CC=C3 |
Product Overview
methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 879948-63-7), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: methyl 4-(2-phenoxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate.
Chemical Property Profile of methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Property Insights of methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
The XLogP value of 2.0326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate has 0 hydrogen bond donor(s) and 5 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-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The CAS number of methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 879948-63-7.
What is the molecular formula of methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular formula of methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is C18H17NO5.
What is the molecular weight of methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular weight of methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 327.11 g/mol.
Where can I buy methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
You can request a quote for methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-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-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(phenoxyacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.