5-Allyl-4,6-dichloropyrimidine
TL;DR: 5-Allyl-4,6-dichloropyrimidine (CAS 16019-31-1) is a chemical compound with molecular formula C7H6Cl2N2 and molecular weight 187.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-5-prop-2-enylpyrimidine
Also Known As: 5-allyl-4,6-dichloropyrimidine, 5-ALLYL-4,6-DICHLORO-PYRIMIDINE, 4,6-dichloro-5-(prop-2-en-1-yl)pyrimidine, 4,6-dichloro-5-prop-2-enylpyrimidine, PYR157
| Molecular Formula | C7H6Cl2N2 |
|---|---|
| Molecular Weight | 187.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.9908 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 16019-31-1 |
|---|---|
| SMILES | C=CCC1=C(N=CN=C1Cl)Cl |
| InChIKey | PDLIUMXRLQCZRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Allyl-4,6-dichloropyrimidine (CAS 16019-31-1), with molecular formula C7H6Cl2N2 and molecular weight 187.99 g/mol. IUPAC: 4,6-dichloro-5-prop-2-enylpyrimidine.
Chemical Property Profile of 5-Allyl-4,6-dichloropyrimidine
Property Insights of 5-Allyl-4,6-dichloropyrimidine
The XLogP value of 3.2 indicates that 5-Allyl-4,6-dichloropyrimidine 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-4,6-dichloropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Allyl-4,6-dichloropyrimidine 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-4,6-dichloropyrimidine?
The CAS number of 5-Allyl-4,6-dichloropyrimidine is 16019-31-1.
What is the molecular formula of 5-Allyl-4,6-dichloropyrimidine?
The molecular formula of 5-Allyl-4,6-dichloropyrimidine is C7H6Cl2N2.
What is the molecular weight of 5-Allyl-4,6-dichloropyrimidine?
The molecular weight of 5-Allyl-4,6-dichloropyrimidine is 187.99 g/mol.
Where can I buy 5-Allyl-4,6-dichloropyrimidine?
You can request a quote for 5-Allyl-4,6-dichloropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Allyl-4,6-dichloropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Allyl-4,6-dichloropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.