2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine
TL;DR: 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine (CAS 861208-87-9) is a chemical compound with molecular formula C20H19ClN2O and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine
Also Known As: 2-(4-tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine, 4-(tert-butyl)phenyl 5-(4-chlorophenyl)-2-pyrimidinyl ether, 2R-1003, 2-(4-(Tert-butyl)phenoxy)-5-(4-chlorophenyl)pyrimidine
| Molecular Formula | C20H19ClN2O |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 5.8868 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1186 |
| Heavy Atoms | 24 |
| Complexity | 804.25775 |
Chemical Identifiers
| CAS Number | 861208-87-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=N2)C3=CC=C(C=C3)Cl |
Product Overview
2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine (CAS 861208-87-9), with molecular formula C20H19ClN2O and molecular weight 338.12 g/mol. IUPAC: 2-(4-tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine.
Chemical Property Profile of 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine
Property Insights of 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine
The XLogP value of 5.8868 indicates that 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine?
The CAS number of 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine is 861208-87-9.
What is the molecular formula of 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine?
The molecular formula of 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine is C20H19ClN2O.
What is the molecular weight of 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine?
The molecular weight of 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine is 338.12 g/mol.
Where can I buy 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine?
You can request a quote for 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Tert-butylphenoxy)-5-(4-chlorophenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.