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Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate
TL;DR: Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate (CAS 442552-62-7) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoacetate
Also Known As: BAS 03375593, methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate, methyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoacetate, methyl [N-(2H,3H-benzo[e]1,4-dioxin-2-ylmethyl)carbamoyl]formate, N-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-oxalamic acid methyl ester
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.1156 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 459.53592 |
Chemical Identifiers
| CAS Number | 442552-62-7 |
|---|---|
| SMILES | COC(=O)C(=O)NCC1COC2=CC=CC=C2O1 |
Product Overview
Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate (CAS 442552-62-7), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: methyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoacetate.
Chemical Property Profile of Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate
Property Insights of Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate
The XLogP value of 0.1156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate. Following Lipinski's Rule of Five, Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate has 1 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 [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate?
The CAS number of Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate is 442552-62-7.
What is the molecular formula of Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate?
The molecular formula of Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate is C12H13NO5.
What is the molecular weight of Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate?
The molecular weight of Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate is 251.08 g/mol.
Where can I buy Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate?
You can request a quote for Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.