2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
TL;DR: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine (CAS 109506-57-2) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
Also Known As: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-amine, 2H-1,5-Benzodioxepin-7-ethanamine,3,4-dihydro-, 2-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethylamine, 2-(2H,3H,4H-benzo[b]1,4-dioxepin-7-yl)ethylamine
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.3491 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 312.15588 |
Chemical Identifiers
| CAS Number | 109506-57-2 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)CCN)OC1 |
Product Overview
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine (CAS 109506-57-2), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine.
Chemical Property Profile of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
Property Insights of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
The XLogP value of 1.3491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine. With a topological polar surface area (TPSA) of 44.48 Ų, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine has 1 hydrogen bond donor(s) and 3 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 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine?
The CAS number of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine is 109506-57-2.
What is the molecular formula of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine?
The molecular formula of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine is C11H15NO2.
What is the molecular weight of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine?
The molecular weight of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine is 193.11 g/mol.
Where can I buy 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine?
You can request a quote for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.