2,4,6-Trichloro-5-isopropylpyrimidine
TL;DR: 2,4,6-Trichloro-5-isopropylpyrimidine (CAS 1780-42-3) is a chemical compound with molecular formula C7H7Cl3N2 and molecular weight 223.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trichloro-5-propan-2-ylpyrimidine
Also Known As: 2,4,6-trichloro-5-isopropylpyrimidine, 2,4,6-trichloro-5-propan-2-ylpyrimidine, 2,4,6-trichloro-5-(propan-2-yl)pyrimidine, 2,4,6-Trichloro-5-isopropyl-pyrimidine, Pyrimidine, 2,4,6-trichloro-5-(1-methylethyl)-
| Molecular Formula | C7H7Cl3N2 |
|---|---|
| Molecular Weight | 223.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.96748 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 1780-42-3 |
|---|---|
| SMILES | CC(C)C1=C(N=C(N=C1Cl)Cl)Cl |
| InChIKey | YVPSTWNQGHUOJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trichloro-5-isopropylpyrimidine (CAS 1780-42-3), with molecular formula C7H7Cl3N2 and molecular weight 223.97 g/mol. IUPAC: 2,4,6-trichloro-5-propan-2-ylpyrimidine.
Chemical Property Profile of 2,4,6-Trichloro-5-isopropylpyrimidine
Property Insights of 2,4,6-Trichloro-5-isopropylpyrimidine
The XLogP value of 4.2 indicates that 2,4,6-Trichloro-5-isopropylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.8 Ų, 2,4,6-Trichloro-5-isopropylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trichloro-5-isopropylpyrimidine has 0 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 2,4,6-Trichloro-5-isopropylpyrimidine?
The CAS number of 2,4,6-Trichloro-5-isopropylpyrimidine is 1780-42-3.
What is the molecular formula of 2,4,6-Trichloro-5-isopropylpyrimidine?
The molecular formula of 2,4,6-Trichloro-5-isopropylpyrimidine is C7H7Cl3N2.
What is the molecular weight of 2,4,6-Trichloro-5-isopropylpyrimidine?
The molecular weight of 2,4,6-Trichloro-5-isopropylpyrimidine is 223.97 g/mol.
Where can I buy 2,4,6-Trichloro-5-isopropylpyrimidine?
You can request a quote for 2,4,6-Trichloro-5-isopropylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trichloro-5-isopropylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trichloro-5-isopropylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.