Spirotrypan
TL;DR: Spirotrypan (CAS 120-76-3) is a chemical compound with molecular formula C22H22As2N2O8S and molecular weight 623.9529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: Spirotrypan, 3-((5-((3-(Bis(2,3-dihydroxypropyl)amino)-4-hydroxyphenyl)arseno)-2-benzoxazolyl)thio)propionic acid, monosodium salt, Propanoic acid, 3-((5-((3-(bis(2,3-dihydroxypropyl)amino)-4-hydroxyphenyl)diarsenyl)-2-benzoxazolyl)thio)-, [2-(2-carboxyethylsulfanyl)-5-[3-[2,3-dihydroxypropyl-(3-hydroxy-2-oxopropyl)amino]-4-hydroxyphenyl]-4-, 3-[[5-[[3-[Bis(2,3-dihydroxypropyl)amino]-4-hydroxyphenyl]diarsenyl]benzoxazole-2-yl]thio]propionic acid
Technical Specifications
| Molecular Formula | C22H22As2N2O8S |
| Molecular Weight | 623.9529 g/mol |
| XLogP | -0.9242 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 623.9529 Da |
| Heavy Atoms | 35 |
| Complexity | 725.0 |
| SMILES | C1=CC(=C(C=C1C2=C(C=C3C(=C2[As])N=C(O3)SCCC(=O)O)[As])N(CC(CO)O)CC(=O)CO)O |
| InChIKey | MWKICFXBDGTHML-UHFFFAOYSA-N |
Chemical Property Profile of Spirotrypan
Property Insights of Spirotrypan
The XLogP value of -0.9242 indicates that Spirotrypan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Spirotrypan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spirotrypan has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Spirotrypan?
The CAS number of Spirotrypan is 120-76-3.
What is the molecular formula of Spirotrypan?
The molecular formula of Spirotrypan is C22H22As2N2O8S.
What is the molecular weight of Spirotrypan?
The molecular weight of Spirotrypan is 623.9529 g/mol.
Where can I buy Spirotrypan?
You can request a quote for Spirotrypan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Spirotrypan?
Yes, CoreyChem provides custom synthesis services for Spirotrypan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.