1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)-
TL;DR: 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)- (CAS 100447-54-9) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-N-[2-(diethylamino)ethyl]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: 1,4-BENZODIOXAN-2-CARBOXAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-3-PHENYL-, (E)-, trans-N-(2-(Diethylamino)ethyl)-3-phenyl-1,4-benzodioxan-2-carboxamide, trans-N-(2-(Diethylamino)ethyl)-2,3-dihydro-3-phenyl-1,4-benzodioxin-2-carboxamide, (2r,3s)-n-[2-(diethylamino)ethyl]-3-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide, (2S,3R)-N-[2-(diethylamino)ethyl]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 100447-54-9 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)[C@H]1[C@@H](OC2=CC=CC=C2O1)C3=CC=CC=C3 |
| InChIKey | BQKAIPBBWHMZKR-VQTJNVASSA-N |
Product Overview
1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)- (CAS 100447-54-9), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: (2S,3R)-N-[2-(diethylamino)ethyl]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)-
Property Insights of 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)-
The XLogP value of 3.3 indicates that 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)- 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 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)-?
The CAS number of 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)- is 100447-54-9.
What is the molecular formula of 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)-?
The molecular formula of 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)- is C21H26N2O3.
What is the molecular weight of 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)-?
The molecular weight of 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)- is 354.19 g/mol.
Where can I buy 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)-?
You can request a quote for 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)- 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-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxan-2-carboxamide, N-(2-(diethylamino)ethyl)-3-phenyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.