1,4-Benzodioxan, 2-(1-ethylaminoethyl)-
TL;DR: 1,4-Benzodioxan, 2-(1-ethylaminoethyl)- (CAS 3754-26-5) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylethanamine
Also Known As: 2-(1-Ethylaminoethyl)-1,4-benzodioxane, 1,4-BENZODIOXAN, 2-(1-ETHYLAMINOETHYL)-, 2-<1-Aethylamino-aethyl>-1,4-benzodioxan, 5-19-08-00415 (Beilstein Handbook Reference), 2-(1-ETHYLAMINOETHYL)-1,4-BENZODIOXAN
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 3754-26-5 |
|---|---|
| SMILES | CCNC(C)C1COC2=CC=CC=C2O1 |
| InChIKey | MPOPVYQHZMQKRJ-UHFFFAOYSA-N |
Product Overview
1,4-Benzodioxan, 2-(1-ethylaminoethyl)- (CAS 3754-26-5), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylethanamine.
Chemical Property Profile of 1,4-Benzodioxan, 2-(1-ethylaminoethyl)-
Property Insights of 1,4-Benzodioxan, 2-(1-ethylaminoethyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzodioxan, 2-(1-ethylaminoethyl)-. With a topological polar surface area (TPSA) of 30.5 Ų, 1,4-Benzodioxan, 2-(1-ethylaminoethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxan, 2-(1-ethylaminoethyl)- 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 1,4-Benzodioxan, 2-(1-ethylaminoethyl)-?
The CAS number of 1,4-Benzodioxan, 2-(1-ethylaminoethyl)- is 3754-26-5.
What is the molecular formula of 1,4-Benzodioxan, 2-(1-ethylaminoethyl)-?
The molecular formula of 1,4-Benzodioxan, 2-(1-ethylaminoethyl)- is C12H17NO2.
What is the molecular weight of 1,4-Benzodioxan, 2-(1-ethylaminoethyl)-?
The molecular weight of 1,4-Benzodioxan, 2-(1-ethylaminoethyl)- is 207.13 g/mol.
Where can I buy 1,4-Benzodioxan, 2-(1-ethylaminoethyl)-?
You can request a quote for 1,4-Benzodioxan, 2-(1-ethylaminoethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodioxan, 2-(1-ethylaminoethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxan, 2-(1-ethylaminoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.