1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one
TL;DR: 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one (CAS 698982-17-1) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one
Also Known As: 6-amino-7-isobutyroyl-1,4-benzodioxane, 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one, A3667/0155460, 1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-1-one, 1-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-methyl-propan-1-one
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.8787 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 426.5172 |
Chemical Identifiers
| CAS Number | 698982-17-1 |
|---|---|
| SMILES | CC(C)C(=O)C1=CC2=C(C=C1N)OCCO2 |
Product Overview
1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one (CAS 698982-17-1), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one.
Chemical Property Profile of 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one
Property Insights of 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one
The XLogP value of 1.8787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one. The TPSA of 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one. Following Lipinski's Rule of Five, 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one 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 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one?
The CAS number of 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one is 698982-17-1.
What is the molecular formula of 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one?
The molecular formula of 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one is C12H15NO3.
What is the molecular weight of 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one?
The molecular weight of 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one is 221.11 g/mol.
Where can I buy 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one?
You can request a quote for 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.