3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine
TL;DR: 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine (CAS 33210-59-2) is a chemical compound with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)-ethoxymethyl]-1,4,5,6-tetrahydropyrimidine
Also Known As: 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine, 5-23-11-00391 (Beilstein Handbook Reference), 2-(3-Chloro-alpha-ethoxybenzyl)-3,4,5,6-tetrahydropyrimidine, 2-(m-Chloro-alpha-ethoxybenzyl)-3,4,5,6-tetrahydropyrimidine, Pyrimidine, 3,4,5,6-tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)-
| Molecular Formula | C13H17ClN2O |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.10294 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 33210-59-2 |
|---|---|
| SMILES | CCOC(C1=CC(=CC=C1)Cl)C2=NCCCN2 |
| InChIKey | WYRDRPRHTLDEAT-UHFFFAOYSA-N |
Product Overview
3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine (CAS 33210-59-2), with molecular formula C13H17ClN2O and molecular weight 252.10 g/mol. IUPAC: 2-[(3-chlorophenyl)-ethoxymethyl]-1,4,5,6-tetrahydropyrimidine.
Chemical Property Profile of 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine
Property Insights of 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine. With a topological polar surface area (TPSA) of 33.6 Ų, 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine 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-(3-chloro-alpha-ethoxybenzyl)pyrimidine?
The CAS number of 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine is 33210-59-2.
What is the molecular formula of 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine?
The molecular formula of 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine is C13H17ClN2O.
What is the molecular weight of 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine?
The molecular weight of 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine is 252.10 g/mol.
Where can I buy 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine?
You can request a quote for 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)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-(3-chloro-alpha-ethoxybenzyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrahydro-2-(3-chloro-alpha-ethoxybenzyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.