2,4,6-Trichloro-5-cyanopyrimidine
TL;DR: 2,4,6-Trichloro-5-cyanopyrimidine (CAS 3029-64-9) is a chemical compound with molecular formula C5Cl3N3 and molecular weight 206.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trichloropyrimidine-5-carbonitrile
Also Known As: 2,4,6-Trichloro-5-cyanopyrimidine, 2,4,6-trichloropyrimidine-5-carbonitrile, null, trichloropyrimidine-5-carbonitrile, C5Cl3N3
| Molecular Formula | C5Cl3N3 |
|---|---|
| Molecular Weight | 206.92 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.91579 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 3029-64-9 |
|---|---|
| SMILES | C(#N)C1=C(N=C(N=C1Cl)Cl)Cl |
| InChIKey | IAJCAZVXGKGAQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trichloro-5-cyanopyrimidine (CAS 3029-64-9), with molecular formula C5Cl3N3 and molecular weight 206.92 g/mol. IUPAC: 2,4,6-trichloropyrimidine-5-carbonitrile.
Chemical Property Profile of 2,4,6-Trichloro-5-cyanopyrimidine
Property Insights of 2,4,6-Trichloro-5-cyanopyrimidine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trichloro-5-cyanopyrimidine. With a topological polar surface area (TPSA) of 49.6 Ų, 2,4,6-Trichloro-5-cyanopyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trichloro-5-cyanopyrimidine has 0 hydrogen bond donor(s) and 3 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 2,4,6-Trichloro-5-cyanopyrimidine?
The CAS number of 2,4,6-Trichloro-5-cyanopyrimidine is 3029-64-9.
What is the molecular formula of 2,4,6-Trichloro-5-cyanopyrimidine?
The molecular formula of 2,4,6-Trichloro-5-cyanopyrimidine is C5Cl3N3.
What is the molecular weight of 2,4,6-Trichloro-5-cyanopyrimidine?
The molecular weight of 2,4,6-Trichloro-5-cyanopyrimidine is 206.92 g/mol.
Where can I buy 2,4,6-Trichloro-5-cyanopyrimidine?
You can request a quote for 2,4,6-Trichloro-5-cyanopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trichloro-5-cyanopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trichloro-5-cyanopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.