Products for Research Use Only

Mbx2329

CAT: 0013-GTR19156123-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156123-02Size:500 mg
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Description
MBX2329 is a specific inhibitor of HA-mediated viral entry that inhibits H1N1 virus strain high pathogenic avian influenza H5N1 virus strain.
CAS Number
1438272-42-4
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (880.78 mM)
Smiles
CCC1=CC=CC=C1OCCN2CCCCCC2.[H]Cl
Molecular Formula
C16H26ClNO
Molecular Weight
283.84
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

1-[2-(2-Ethylphenoxy)ethyl]azepane hydrochloride
CAS Number1438272-42-4
PubChem CID71526742
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]azepane;hydrochloride
Molecular FormulaC16H26ClNO
Molecular Weight283.83
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity211
SMILES
CCC1=CC=CC=C1OCCN2CCCCCC2.Cl
InChI
InChI=1S/C16H25NO.ClH/c1-2-15-9-5-6-10-16(15)18-14-13-17-11-7-3-4-8-12-17;/h5-6,9-10H,2-4,7-8,11-14H2,1H3;1H
InChIKey
JMIAUPZSIMYFEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(2-Ethylphenoxy)ethyl]azepane hydrochloride
CAS: 1438272-42-4
CID: 71526742
Formula: C16H26ClNO
MW: 283.83
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight283.83
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass283.1702921
Monoisotopic Mass283.1702921
Topological Polar Surface Area12.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes