Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-
TL;DR: Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- (CAS 125454-26-4) is a chemical compound with molecular formula C9H14ClN5O2 and molecular weight 259.0836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]butanoic acid
Also Known As: Simazine-acetic acid, J1.004.651C, Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-, 4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]butanoic acid, 4-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}butanoic acid
Technical Specifications
| Molecular Formula | C9H14ClN5O2 |
| Molecular Weight | 259.0836 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.0836 Da |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
| SMILES | CCNC1=NC(=NC(=N1)Cl)NCCCC(=O)O |
| InChIKey | QJCNXQQKVJBFEF-UHFFFAOYSA-N |
Chemical Property Profile of Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-
Property Insights of Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-. Following Lipinski's Rule of Five, Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-?
The CAS number of Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- is 125454-26-4.
What is the molecular formula of Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-?
The molecular formula of Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- is C9H14ClN5O2.
What is the molecular weight of Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-?
The molecular weight of Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- is 259.0836 g/mol.
Where can I buy Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-?
You can request a quote for Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-?
Yes, CoreyChem provides custom synthesis services for Butnoic acid, 4-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.