RefChem:1049594
TL;DR: RefChem:1049594 (CAS 63979-37-3) is a chemical compound with molecular formula C19H20Cl3N5O3 and molecular weight 471.06317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine;2-(2,4,5-trichlorophenoxy)acetic acid
Also Known As: KST-1A7143, 4,6-Diamino-1,2-dihydro-2,2-dimethyl-1-phenyl-1,3,5-triazine 2,4,5-trichlorophenoxyacetate, (2,4,5-trichlorophenoxy)acetic acid- 6,6-dimethyl-1-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine(1:1), 4,6-Diamino-1-fenyl-2,2-dimethyl-1,2-dihydro-1,3,5-triazin trichlorfenoxyacetat [Czech], s-Triazine, 1,2-dihydro-, 4,6-diamino-2,2-dimethyl-1-phenyl-, 2,4,5-trichlorophenoxyacetate
Technical Specifications
| Molecular Formula | C19H20Cl3N5O3 |
| Molecular Weight | 471.06317 g/mol |
| XLogP | 3.98 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.06317 Da |
| Heavy Atoms | 30 |
| Complexity | 537.0 |
| SMILES | CC1(N=C(N=C(N1C2=CC=CC=C2)N)N)C.C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O |
| InChIKey | ZAPCMYXGFUKWBR-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1049594
Property Insights of RefChem:1049594
The XLogP value of 3.98 indicates that RefChem:1049594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1049594. Following Lipinski's Rule of Five, RefChem:1049594 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1049594?
The CAS number of RefChem:1049594 is 63979-37-3.
What is the molecular formula of RefChem:1049594?
The molecular formula of RefChem:1049594 is C19H20Cl3N5O3.
What is the molecular weight of RefChem:1049594?
The molecular weight of RefChem:1049594 is 471.06317 g/mol.
Where can I buy RefChem:1049594?
You can request a quote for RefChem:1049594 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1049594?
Yes, CoreyChem provides custom synthesis services for RefChem:1049594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.