4,5,6-Trichloro-2-(chloromethyl)pyrimidine
TL;DR: 4,5,6-Trichloro-2-(chloromethyl)pyrimidine (CAS 1780-29-6) is a chemical compound with molecular formula C5H2Cl4N2 and molecular weight 229.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trichloro-2-(chloromethyl)pyrimidine
Also Known As: 4,5,6-trichloro-2-(chloromethyl)pyrimidine, 4,5,6-Trichlor-2-chlormethyl-pyrimidin, 4,5,6-trichloro-2-chloromethyl-pyrimidine
| Molecular Formula | C5H2Cl4N2 |
|---|---|
| Molecular Weight | 229.90 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.8972 |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 1780-29-6 |
|---|---|
| SMILES | C(C1=NC(=C(C(=N1)Cl)Cl)Cl)Cl |
| InChIKey | KELKCAIZKGTAPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6-Trichloro-2-(chloromethyl)pyrimidine (CAS 1780-29-6), with molecular formula C5H2Cl4N2 and molecular weight 229.90 g/mol. IUPAC: 4,5,6-trichloro-2-(chloromethyl)pyrimidine.
Chemical Property Profile of 4,5,6-Trichloro-2-(chloromethyl)pyrimidine
Property Insights of 4,5,6-Trichloro-2-(chloromethyl)pyrimidine
The XLogP value of 3.2 indicates that 4,5,6-Trichloro-2-(chloromethyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.8 Ų, 4,5,6-Trichloro-2-(chloromethyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-Trichloro-2-(chloromethyl)pyrimidine 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 4,5,6-Trichloro-2-(chloromethyl)pyrimidine?
The CAS number of 4,5,6-Trichloro-2-(chloromethyl)pyrimidine is 1780-29-6.
What is the molecular formula of 4,5,6-Trichloro-2-(chloromethyl)pyrimidine?
The molecular formula of 4,5,6-Trichloro-2-(chloromethyl)pyrimidine is C5H2Cl4N2.
What is the molecular weight of 4,5,6-Trichloro-2-(chloromethyl)pyrimidine?
The molecular weight of 4,5,6-Trichloro-2-(chloromethyl)pyrimidine is 229.90 g/mol.
Where can I buy 4,5,6-Trichloro-2-(chloromethyl)pyrimidine?
You can request a quote for 4,5,6-Trichloro-2-(chloromethyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6-Trichloro-2-(chloromethyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-Trichloro-2-(chloromethyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.