methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
TL;DR: methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 3640-49-1) 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 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
Also Known As: methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate, methyl 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate, METHYL 4-ACETYL-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-2-CARBOXYLATE, METHYL4-ACETYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLATE, 4-acetyl-3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid methyl ester
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.9735 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 457.5738 |
Chemical Identifiers
| CAS Number | 3640-49-1 |
|---|---|
| SMILES | CC(=O)N1CC(OC2=CC=CC=C21)C(=O)OC |
Product Overview
methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate (CAS 3640-49-1), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: methyl 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate.
Chemical Property Profile of methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Property Insights of methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
The XLogP value of 0.9735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-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-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The CAS number of methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 3640-49-1.
What is the molecular formula of methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular formula of methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is C12H13NO4.
What is the molecular weight of methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
The molecular weight of methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is 235.08 g/mol.
Where can I buy methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
You can request a quote for methyl 4-acetyl-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-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.