5-Allyl-2,4,6-trichloropyrimidine
TL;DR: 5-Allyl-2,4,6-trichloropyrimidine (CAS 10182-68-0) is a chemical compound with molecular formula C7H5Cl3N2 and molecular weight 221.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trichloro-5-prop-2-enylpyrimidine
Also Known As: 5-allyl-2,4,6-trichloropyrimidine, 5-allyl-2,4,6-trichloro-pyrimidine, Pyrimidine,4,6-trichloro-, 2,4,6-trichloro-5-prop-2-enylpyrimidine, 95% +(stabilized with TBC)
| Molecular Formula | C7H5Cl3N2 |
|---|---|
| Molecular Weight | 221.95 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.95183 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 10182-68-0 |
|---|---|
| SMILES | C=CCC1=C(N=C(N=C1Cl)Cl)Cl |
| InChIKey | RXPZJYKGHXZIEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Allyl-2,4,6-trichloropyrimidine (CAS 10182-68-0), with molecular formula C7H5Cl3N2 and molecular weight 221.95 g/mol. IUPAC: 2,4,6-trichloro-5-prop-2-enylpyrimidine.
Chemical Property Profile of 5-Allyl-2,4,6-trichloropyrimidine
Property Insights of 5-Allyl-2,4,6-trichloropyrimidine
The XLogP value of 4.2 indicates that 5-Allyl-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-Allyl-2,4,6-trichloropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Allyl-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-Allyl-2,4,6-trichloropyrimidine?
The CAS number of 5-Allyl-2,4,6-trichloropyrimidine is 10182-68-0.
What is the molecular formula of 5-Allyl-2,4,6-trichloropyrimidine?
The molecular formula of 5-Allyl-2,4,6-trichloropyrimidine is C7H5Cl3N2.
What is the molecular weight of 5-Allyl-2,4,6-trichloropyrimidine?
The molecular weight of 5-Allyl-2,4,6-trichloropyrimidine is 221.95 g/mol.
Where can I buy 5-Allyl-2,4,6-trichloropyrimidine?
You can request a quote for 5-Allyl-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-Allyl-2,4,6-trichloropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Allyl-2,4,6-trichloropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.