3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine
TL;DR: 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine (CAS 33210-40-1) is a chemical compound with molecular formula C17H25ClN2O and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)-ethoxymethyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine
Also Known As: 5-23-11-00422 (Beilstein Handbook Reference), 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine, 2-(4-Chloro-alpha-ethoxybenzyl)-5,5-diethyl-3,4,5,6-tetrahydropyrimidine, 2-(p-Chloro-alpha-ethoxybenzyl)-5,5-diethyl-3,4,5,6-tetrahydropyrimidine, 3,4,5,6-Tetrahydro-2-(p-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine
| Molecular Formula | C17H25ClN2O |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.16553 |
| Heavy Atoms | 21 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 33210-40-1 |
|---|---|
| SMILES | CCC1(CNC(=NC1)C(C2=CC=C(C=C2)Cl)OCC)CC |
| InChIKey | VQNPKMSZUMKNOO-UHFFFAOYSA-N |
Product Overview
3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine (CAS 33210-40-1), with molecular formula C17H25ClN2O and molecular weight 308.17 g/mol. IUPAC: 2-[(4-chlorophenyl)-ethoxymethyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine.
Chemical Property Profile of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine
Property Insights of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine
The XLogP value of 3.7 indicates that 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.6 Ų, 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine 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 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine?
The CAS number of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine is 33210-40-1.
What is the molecular formula of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine?
The molecular formula of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine is C17H25ClN2O.
What is the molecular weight of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine?
The molecular weight of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine is 308.17 g/mol.
Where can I buy 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine?
You can request a quote for 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5,5-diethylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.