三氟嘧磺隆
TL;DR: 三氟嘧磺隆 (CAS 135990-29-3) is a chemical compound with molecular formula C16H17F3N6O6S and molecular weight 478.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟嘧磺隆
2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoic acid
Also Known As: Triflusulfuron, Triflusulfuron [ISO], triflusulfuron-methyl TP5, 2-bromo-5-cyanomethylpyridine, 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoic acid
| Molecular Formula | C16H17F3N6O6S |
|---|---|
| Molecular Weight | 478.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.08823 |
| Heavy Atoms | 32 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 135990-29-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C |
| InChIKey | AKTQJCBOGPBERP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟嘧磺隆 (CAS 135990-29-3), with molecular formula C16H17F3N6O6S and molecular weight 478.09 g/mol. IUPAC: 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoic acid.
Chemical Property Profile of 三氟嘧磺隆
Property Insights of 三氟嘧磺隆
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟嘧磺隆. The TPSA of 172.0 Ų indicates high polarity, suggesting 三氟嘧磺隆 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三氟嘧磺隆 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三氟嘧磺隆?
The CAS number of 三氟嘧磺隆 is 135990-29-3.
What is the molecular formula of 三氟嘧磺隆?
The molecular formula of 三氟嘧磺隆 is C16H17F3N6O6S.
What is the molecular weight of 三氟嘧磺隆?
The molecular weight of 三氟嘧磺隆 is 478.09 g/mol.
Where can I buy 三氟嘧磺隆?
You can request a quote for 三氟嘧磺隆 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟嘧磺隆?
Yes, KEHONG BIO provides custom synthesis services for 三氟嘧磺隆 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.