3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
TL;DR: 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine (CAS 33235-92-6) is a chemical compound with molecular formula C13H17FN2O and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethoxy-(3-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidine
Also Known As: 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine, 2-(alpha-Ethoxy-3-fluorobenzyl)-3,4,5,6-pyrimidine, 5-23-11-00391 (Beilstein Handbook Reference), Pyrimidine, 3,4,5,6-tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)-, 2-[Ethoxy(3-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidine
| Molecular Formula | C13H17FN2O |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.13249 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 33235-92-6 |
|---|---|
| SMILES | CCOC(C1=CC(=CC=C1)F)C2=NCCCN2 |
| InChIKey | VPFUOBXRNMBNCX-UHFFFAOYSA-N |
Product Overview
3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine (CAS 33235-92-6), with molecular formula C13H17FN2O and molecular weight 236.13 g/mol. IUPAC: 2-[ethoxy-(3-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidine.
Chemical Property Profile of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
Property Insights of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine. With a topological polar surface area (TPSA) of 33.6 Ų, 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine 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)pyrimidine 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)pyrimidine?
The CAS number of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine is 33235-92-6.
What is the molecular formula of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine?
The molecular formula of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine is C13H17FN2O.
What is the molecular weight of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine?
The molecular weight of 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine is 236.13 g/mol.
Where can I buy 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine?
You can request a quote for 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine 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)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrahydro-2-(alpha-ethoxy-3-fluorobenzyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.