4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine
TL;DR: 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine (CAS 33210-54-7) is a chemical compound with molecular formula C14H20N2O and molecular weight 232.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy(phenyl)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine
Also Known As: 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine, 5-23-11-00402 (Beilstein Handbook Reference), 2-[ethoxy(phenyl)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine, 2-(alpha-Ethoxybenzyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine, 1H-1,3-Diazepine, 2-(alpha-ethoxybenzyl)-4,5,6,7-tetrahydro-
| Molecular Formula | C14H20N2O |
|---|---|
| Molecular Weight | 232.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.15756 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 33210-54-7 |
|---|---|
| SMILES | CCOC(C1=CC=CC=C1)C2=NCCCCN2 |
| InChIKey | BRIQNDUDPPAHFX-UHFFFAOYSA-N |
Product Overview
4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine (CAS 33210-54-7), with molecular formula C14H20N2O and molecular weight 232.16 g/mol. IUPAC: 2-[ethoxy(phenyl)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine.
Chemical Property Profile of 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine
Property Insights of 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine. With a topological polar surface area (TPSA) of 33.6 Ų, 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine has 1 hydrogen bond donor(s) and 2 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 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine?
The CAS number of 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine is 33210-54-7.
What is the molecular formula of 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine?
The molecular formula of 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine is C14H20N2O.
What is the molecular weight of 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine?
The molecular weight of 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine is 232.16 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine?
You can request a quote for 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.