Spirotrypan
TL;DR: Spirotrypan (CAS 120-76-3) is a chemical compound with molecular formula C22H22As2N2O8S and molecular weight 623.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C22H22As2N2O8S |
|---|---|
| Molecular Weight | 623.95 g/mol |
| LogP | -0.9242 |
| Topological Polar Surface Area | 164.56 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 623.9529 |
| Heavy Atoms | 35 |
| Complexity | 1235.8763 |
Chemical Identifiers
| CAS Number | 120-76-3 |
|---|---|
| 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 |
Product Overview
Spirotrypan (CAS 120-76-3), with molecular formula C22H22As2N2O8S and molecular weight 623.95 g/mol.
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 164.56 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 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 623.95 g/mol.
Where can I buy Spirotrypan?
You can request a quote for Spirotrypan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirotrypan?
Yes, KEHONG BIO provides custom synthesis services for Spirotrypan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.