5-Benzyl-2,4,6-trichloropyrimidine
TL;DR: 5-Benzyl-2,4,6-trichloropyrimidine (CAS 14273-79-1) is a chemical compound with molecular formula C11H7Cl3N2 and molecular weight 271.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2,4,6-trichloropyrimidine
Also Known As: 5-benzyl-2,4,6-trichloropyrimidine, 5-benzyl-2,4,6-trichloro-pyrimidine, NCI60_042050, Pyrimidine,2,4,6-trichloro-5-(phenylmethyl)-
| Molecular Formula | C11H7Cl3N2 |
|---|---|
| Molecular Weight | 271.97 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.96747 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 14273-79-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)Cl)Cl |
| InChIKey | DUUCYJQQRKIAKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzyl-2,4,6-trichloropyrimidine (CAS 14273-79-1), with molecular formula C11H7Cl3N2 and molecular weight 271.97 g/mol. IUPAC: 5-benzyl-2,4,6-trichloropyrimidine.
Chemical Property Profile of 5-Benzyl-2,4,6-trichloropyrimidine
Property Insights of 5-Benzyl-2,4,6-trichloropyrimidine
The XLogP value of 5.0 indicates that 5-Benzyl-2,4,6-trichloropyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.8 Ų, 5-Benzyl-2,4,6-trichloropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-2,4,6-trichloropyrimidine 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 5-Benzyl-2,4,6-trichloropyrimidine?
The CAS number of 5-Benzyl-2,4,6-trichloropyrimidine is 14273-79-1.
What is the molecular formula of 5-Benzyl-2,4,6-trichloropyrimidine?
The molecular formula of 5-Benzyl-2,4,6-trichloropyrimidine is C11H7Cl3N2.
What is the molecular weight of 5-Benzyl-2,4,6-trichloropyrimidine?
The molecular weight of 5-Benzyl-2,4,6-trichloropyrimidine is 271.97 g/mol.
Where can I buy 5-Benzyl-2,4,6-trichloropyrimidine?
You can request a quote for 5-Benzyl-2,4,6-trichloropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-2,4,6-trichloropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-2,4,6-trichloropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.