3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine
TL;DR: 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine (CAS 33236-05-4) is a chemical compound with molecular formula C16H23ClN2O and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)-ethoxymethyl]-5-ethyl-5-methyl-4,6-dihydro-1H-pyrimidine
Also Known As: 5-23-11-00418 (Beilstein Handbook Reference), 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine, 2-(4-Chloro-alpha-ethoxybenzyl)-5-ethyl-5-methyl-3,4,5,6-tetrahydropyrimidine, 2-(p-Chloro-alpha-ethoxybenzyl)-5-ethyl-5-methyl-3,4,5,6-tetrahydropyrimidine, 3,4,5,6-Tetrahydro-2-(p-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine
| Molecular Formula | C16H23ClN2O |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.1499 |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 33236-05-4 |
|---|---|
| SMILES | CCC1(CNC(=NC1)C(C2=CC=C(C=C2)Cl)OCC)C |
| InChIKey | IEFJIDVVCUPGAG-UHFFFAOYSA-N |
Product Overview
3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine (CAS 33236-05-4), with molecular formula C16H23ClN2O and molecular weight 294.15 g/mol. IUPAC: 2-[(4-chlorophenyl)-ethoxymethyl]-5-ethyl-5-methyl-4,6-dihydro-1H-pyrimidine.
Chemical Property Profile of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine
Property Insights of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine
The XLogP value of 3.3 indicates that 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine 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-ethyl-5-methylpyrimidine 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-ethyl-5-methylpyrimidine 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-ethyl-5-methylpyrimidine?
The CAS number of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine is 33236-05-4.
What is the molecular formula of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine?
The molecular formula of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine is C16H23ClN2O.
What is the molecular weight of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine?
The molecular weight of 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine is 294.15 g/mol.
Where can I buy 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine?
You can request a quote for 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine 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-ethyl-5-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrahydro-2-(4-chloro-alpha-ethoxybenzyl)-5-ethyl-5-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.