4,5,6-Trichloro-2-propan-2-ylpyrimidine
TL;DR: 4,5,6-Trichloro-2-propan-2-ylpyrimidine (CAS 1199-53-7) 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.
4,5,6-trichloro-2-propan-2-ylpyrimidine
Also Known As: 4,5,6-trichloro-2-propan-2-ylpyrimidine, 4,5,6-TRICHLORO-2-ISOPROPYLPYRIMIDINE, 4,5,6-trichloro-2-(propan-2-yl)pyrimidine, 4,5,6-trichloro-2-isopropyl-pyrimidine, NCI60_024089
| Molecular Formula | C7H7Cl3N2 |
|---|---|
| Molecular Weight | 223.97 g/mol |
| LogP | 3.9 |
| 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 | 1199-53-7 |
|---|---|
| SMILES | CC(C)C1=NC(=C(C(=N1)Cl)Cl)Cl |
| InChIKey | ATGYGVVUZSGNKF-UHFFFAOYSA-N |
Product Overview
4,5,6-Trichloro-2-propan-2-ylpyrimidine (CAS 1199-53-7), with molecular formula C7H7Cl3N2 and molecular weight 223.97 g/mol. IUPAC: 4,5,6-trichloro-2-propan-2-ylpyrimidine.
Chemical Property Profile of 4,5,6-Trichloro-2-propan-2-ylpyrimidine
Property Insights of 4,5,6-Trichloro-2-propan-2-ylpyrimidine
The XLogP value of 3.9 indicates that 4,5,6-Trichloro-2-propan-2-ylpyrimidine 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-propan-2-ylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-Trichloro-2-propan-2-ylpyrimidine 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-propan-2-ylpyrimidine?
The CAS number of 4,5,6-Trichloro-2-propan-2-ylpyrimidine is 1199-53-7.
What is the molecular formula of 4,5,6-Trichloro-2-propan-2-ylpyrimidine?
The molecular formula of 4,5,6-Trichloro-2-propan-2-ylpyrimidine is C7H7Cl3N2.
What is the molecular weight of 4,5,6-Trichloro-2-propan-2-ylpyrimidine?
The molecular weight of 4,5,6-Trichloro-2-propan-2-ylpyrimidine is 223.97 g/mol.
Where can I buy 4,5,6-Trichloro-2-propan-2-ylpyrimidine?
You can request a quote for 4,5,6-Trichloro-2-propan-2-ylpyrimidine 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-propan-2-ylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-Trichloro-2-propan-2-ylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.