5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine
TL;DR: 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine (CAS 176250-06-9) is a chemical compound with molecular formula C18H22BrClN2O2 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromo-5-chlorophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
Also Known As: 5-(3-bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine, AI-942/42302045, 5-(3-bromo-5-chlorophenyl)-2,4-di-tert-butoxypyrimidine, 5-(3-bromo-5-chlorophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
| Molecular Formula | C18H22BrClN2O2 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 5.9141 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.05533 |
| Heavy Atoms | 24 |
| Complexity | 716.52423 |
Chemical Identifiers
| CAS Number | 176250-06-9 |
|---|---|
| SMILES | CC(C)(C)OC1=NC(=NC=C1C2=CC(=CC(=C2)Br)Cl)OC(C)(C)C |
Product Overview
5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine (CAS 176250-06-9), with molecular formula C18H22BrClN2O2 and molecular weight 412.06 g/mol. IUPAC: 5-(3-bromo-5-chlorophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.
Chemical Property Profile of 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine
Property Insights of 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine
The XLogP value of 5.9141 indicates that 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine?
The CAS number of 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine is 176250-06-9.
What is the molecular formula of 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine?
The molecular formula of 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine is C18H22BrClN2O2.
What is the molecular weight of 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine?
The molecular weight of 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine is 412.06 g/mol.
Where can I buy 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine?
You can request a quote for 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Bromo-5-chlorophenyl)-2,4-ditert-butoxypyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.