2-(1,1-Dichloroethyl)-1,3,5-triazine
TL;DR: 2-(1,1-Dichloroethyl)-1,3,5-triazine (CAS 30361-86-5) is a chemical compound with molecular formula C5H5Cl2N3 and molecular weight 176.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-dichloroethyl)-1,3,5-triazine
Also Known As: 2-(1,1-dichloroethyl)-1,3,5-triazine, 2-(1,1-DICHLOROETHYL)-S-TRIAZINE, 2-(1,1-dichloro-ethyl)-[1,3,5]triazine, J1.613.627A
| Molecular Formula | C5H5Cl2N3 |
|---|---|
| Molecular Weight | 176.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.98605 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 30361-86-5 |
|---|---|
| SMILES | CC(C1=NC=NC=N1)(Cl)Cl |
| InChIKey | UTYQRMODGAWFOB-UHFFFAOYSA-N |
Product Overview
2-(1,1-Dichloroethyl)-1,3,5-triazine (CAS 30361-86-5), with molecular formula C5H5Cl2N3 and molecular weight 176.99 g/mol. IUPAC: 2-(1,1-dichloroethyl)-1,3,5-triazine.
Chemical Property Profile of 2-(1,1-Dichloroethyl)-1,3,5-triazine
Property Insights of 2-(1,1-Dichloroethyl)-1,3,5-triazine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-Dichloroethyl)-1,3,5-triazine. With a topological polar surface area (TPSA) of 38.7 Ų, 2-(1,1-Dichloroethyl)-1,3,5-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,1-Dichloroethyl)-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-(1,1-Dichloroethyl)-1,3,5-triazine?
The CAS number of 2-(1,1-Dichloroethyl)-1,3,5-triazine is 30361-86-5.
What is the molecular formula of 2-(1,1-Dichloroethyl)-1,3,5-triazine?
The molecular formula of 2-(1,1-Dichloroethyl)-1,3,5-triazine is C5H5Cl2N3.
What is the molecular weight of 2-(1,1-Dichloroethyl)-1,3,5-triazine?
The molecular weight of 2-(1,1-Dichloroethyl)-1,3,5-triazine is 176.99 g/mol.
Where can I buy 2-(1,1-Dichloroethyl)-1,3,5-triazine?
You can request a quote for 2-(1,1-Dichloroethyl)-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-(1,1-Dichloroethyl)-1,3,5-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dichloroethyl)-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.