3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine
TL;DR: 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine (CAS 33210-49-0) is a chemical compound with molecular formula C16H23FN2O and molecular weight 278.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy-(3-fluorophenyl)methyl]-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-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine, 2-(alpha-Ethoxy-3-fluorobenzyl)-5-ethyl-5-methyl-3,4,5,6-tetrahydropyrimidine, 2-(alpha-Ethoxy-m-fluorobenzyl)-5-ethyl-5-methyl-3,4,5,6-tetrahydropyrimidine, 2-[ethoxy-(3-fluorophenyl)methyl]-5-ethyl-5-methyl-4,6-dihydro-1H-pyrimidine
| Molecular Formula | C16H23FN2O |
|---|---|
| Molecular Weight | 278.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.17944 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 33210-49-0 |
|---|---|
| SMILES | CCC1(CNC(=NC1)C(C2=CC(=CC=C2)F)OCC)C |
| InChIKey | ITTHQSUWVWGHKT-UHFFFAOYSA-N |
Product Overview
3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine (CAS 33210-49-0), with molecular formula C16H23FN2O and molecular weight 278.18 g/mol. IUPAC: 2-[ethoxy-(3-fluorophenyl)methyl]-5-ethyl-5-methyl-4,6-dihydro-1H-pyrimidine.
Chemical Property Profile of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine
Property Insights of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine. With a topological polar surface area (TPSA) of 33.6 Ų, 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-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-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine 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 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine?
The CAS number of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine is 33210-49-0.
What is the molecular formula of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine?
The molecular formula of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine is C16H23FN2O.
What is the molecular weight of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine?
The molecular weight of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine is 278.18 g/mol.
Where can I buy 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine?
You can request a quote for 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-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-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-5-ethyl-5-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.