RefChem:412744
TL;DR: RefChem:412744 (CAS 63817-39-0) is a chemical compound with molecular formula C27H19FN9Na3O10S3 and molecular weight 813.0094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trisodium;7-[[2-(carbamoylamino)-4-[[4-fluoro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
Also Known As: A-Hydroxytestosterone-D3, 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, trisodium salt, 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-fluoro-6-((2-methylphenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:3), 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-fluoro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, trisodium salt, 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-fluoro-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:3)
Technical Specifications
| Molecular Formula | C27H19FN9Na3O10S3 |
| Molecular Weight | 813.0094 g/mol |
| XLogP | -5.41 |
| Topological Polar Surface Area (TPSA) | 339.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 813.0094 Da |
| Heavy Atoms | 53 |
| Complexity | 1520.0 |
| SMILES | CC1=CC=CC=C1NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)F.[Na+].[Na+].[Na+] |
| InChIKey | DERXBASKAWGGIR-UHFFFAOYSA-K |
Chemical Property Profile of RefChem:412744
Property Insights of RefChem:412744
The XLogP value of -5.41 indicates that RefChem:412744 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 339.0 Ų indicates high polarity, suggesting RefChem:412744 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:412744 has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:412744?
The CAS number of RefChem:412744 is 63817-39-0.
What is the molecular formula of RefChem:412744?
The molecular formula of RefChem:412744 is C27H19FN9Na3O10S3.
What is the molecular weight of RefChem:412744?
The molecular weight of RefChem:412744 is 813.0094 g/mol.
Where can I buy RefChem:412744?
You can request a quote for RefChem:412744 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:412744?
Yes, CoreyChem provides custom synthesis services for RefChem:412744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.