methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate
TL;DR: methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate (CAS 82698-71-3) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,6-dihydrooxazin-2-yl)benzoate
Also Known As: methyl 4-(3,6-dihydrooxazin-2-yl)benzoate, methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate, AE-562/12222954
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.781 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 397.22983 |
Chemical Identifiers
| CAS Number | 82698-71-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2CC=CCO2 |
Product Overview
methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate (CAS 82698-71-3), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: methyl 4-(3,6-dihydrooxazin-2-yl)benzoate.
Chemical Property Profile of methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate
Property Insights of methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate
The XLogP value of 1.781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate. With a topological polar surface area (TPSA) of 38.77 Ų, methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate 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-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate?
The CAS number of methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate is 82698-71-3.
What is the molecular formula of methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate?
The molecular formula of methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate is C12H13NO3.
What is the molecular weight of methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate?
The molecular weight of methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate is 219.09 g/mol.
Where can I buy methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate?
You can request a quote for methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3,6-dihydro-2H-1,2-oxazin-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.