2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
TL;DR: 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (CAS 3599-72-2) is a chemical compound with molecular formula C11H4Cl6N4O2 and molecular weight 433.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Also Known As: 2-(3-nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine, J1.559.527B, 2-(M-NITROPHENYL)-4,6-BIS(TRICHLOROMETHYL)-S-T*
| Molecular Formula | C11H4Cl6N4O2 |
|---|---|
| Molecular Weight | 433.85 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 435.8436 |
| Heavy Atoms | 23 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 3599-72-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | SENSTYFJFZFLBF-UHFFFAOYSA-N |
Product Overview
2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (CAS 3599-72-2), with molecular formula C11H4Cl6N4O2 and molecular weight 433.85 g/mol. IUPAC: 2-(3-nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.
Chemical Property Profile of 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Property Insights of 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
The XLogP value of 4.8 indicates that 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine has 0 hydrogen bond donor(s) and 5 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-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The CAS number of 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is 3599-72-2.
What is the molecular formula of 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The molecular formula of 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is C11H4Cl6N4O2.
What is the molecular weight of 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The molecular weight of 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is 433.85 g/mol.
Where can I buy 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
You can request a quote for 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-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-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.