2-(Chloromethyl)-1,3,5-triazine
TL;DR: 2-(Chloromethyl)-1,3,5-triazine (CAS 30361-82-1) is a chemical compound with molecular formula C4H4ClN3 and molecular weight 129.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1,3,5-triazine
Also Known As: 2-(chloromethyl)-1,3,5-triazine, chloromethyl-sym-triazine, 2-(CHLOROMETHYL)-S-TRIAZINE, 2-chloromethyl-[1,3,5]triazine, J1.613.622K
| Molecular Formula | C4H4ClN3 |
|---|---|
| Molecular Weight | 129.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.00937 |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 30361-82-1 |
|---|---|
| SMILES | C1=NC=NC(=N1)CCl |
| InChIKey | IXOJGFDRZRKILF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Chloromethyl)-1,3,5-triazine (CAS 30361-82-1), with molecular formula C4H4ClN3 and molecular weight 129.01 g/mol. IUPAC: 2-(chloromethyl)-1,3,5-triazine.
Chemical Property Profile of 2-(Chloromethyl)-1,3,5-triazine
Property Insights of 2-(Chloromethyl)-1,3,5-triazine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-1,3,5-triazine. With a topological polar surface area (TPSA) of 38.7 Ų, 2-(Chloromethyl)-1,3,5-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-1,3,5-triazine 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-(Chloromethyl)-1,3,5-triazine?
The CAS number of 2-(Chloromethyl)-1,3,5-triazine is 30361-82-1.
What is the molecular formula of 2-(Chloromethyl)-1,3,5-triazine?
The molecular formula of 2-(Chloromethyl)-1,3,5-triazine is C4H4ClN3.
What is the molecular weight of 2-(Chloromethyl)-1,3,5-triazine?
The molecular weight of 2-(Chloromethyl)-1,3,5-triazine is 129.01 g/mol.
Where can I buy 2-(Chloromethyl)-1,3,5-triazine?
You can request a quote for 2-(Chloromethyl)-1,3,5-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-1,3,5-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.