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Phenylbenzothiazole-PEG4-OH

CAT: 0804-HY-153172Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153172Size:100 mg
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Description
Phenylbenzothiazole-PEG4-OH (compound 1) can treat spinal cord injury and promote spine formation[1].
CAS Number
2274723-90-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/phenylbenzothiazole-peg4-oh.html
Solubility
10 mM in DMSO
Smiles
OCCOCCOCCOCCOC1=CC=C(C2=NC3=C(S2)C=CC=C3)C=C1
Molecular Formula
C21H25NO5S
Molecular Weight
403.49
Precautions
P264-P270-P280-P302+P352-P330-P362+P364-P501
References & Citations
[1]Stella TS, et, al. Methods of treating spinal cord injury or damage. WO2022178224A2.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Spg302
CAS Number2274723-90-7
PubChem CID137464756
IUPAC Name2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol
Molecular FormulaC21H25NO5S
Molecular Weight403.5
XLogP3.1
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count28
Formal Charge0
Complexity408
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OCCOCCOCCOCCO
InChI
InChI=1S/C21H25NO5S/c23-9-10-24-11-12-25-13-14-26-15-16-27-18-7-5-17(6-8-18)21-22-19-3-1-2-4-20(19)28-21/h1-8,23H,9-16H2
InChIKey
XSAIPEACQNRHOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spg302
CAS: 2274723-90-7
CID: 137464756
Formula: C21H25NO5S
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass403.14534407
Monoisotopic Mass403.14534407
Topological Polar Surface Area98.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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