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Benalaxyl

CAT: 0013-GTR19173178-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173178-01Size:50 mg
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Description
Benalaxyl
CAS Number
71626-11-4
Product Name Alternative
Galben, M 9834, M9834, M-9834, BRN3001587, BRN-3001587, BRN 3001587, Benalaxyl
Field of Research
Infectious Disease & Virology
Purity
99.59% (May vary between batches)
Solubility
Dimethylamide:500g/kg; Chloroform:500g/kg; Hexane:< 50g/kg; Acetone:500g/kg; Cyclohexanone:400g/kg; H2O:37mg/L; Xylene:300g/kg; DMSO:Soluble
Smiles
N (C (C (OC) =O) C) (C (CC1=CC=CC=C1) =O) C2=C (C) C=CC=C2C
Molecular Formula
C20H23NO3
Molecular Weight
325.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benalaxyl

Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate is an alanine derivative that is the N-phenylacetyl derivative of methyl N-(2,6-dimethylphenyl)alaninate. It is an alanine derivative, a methyl ester, a carboxamide and an aromatic amide.

CAS Number71626-11-4
PubChem CID51369
IUPAC Namemethyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
Molecular FormulaC20H23NO3
Molecular Weight325.4
XLogP3.4
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity421
SMILES
CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
InChIKey
CJPQIRJHIZUAQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benalaxyl
CAS: 71626-11-4
CID: 51369
Formula: C20H23NO3
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass325.16779360
Monoisotopic Mass325.16779360
Topological Polar Surface Area46.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-T-04902Benalaxyl
T23780-01Benalaxyl, (+) -
MBS5773547Benalaxyl, (+)-
HY-124894(+) -Benalaxyl
HY-121109RBenalaxyl (Standard)
sc-319848Benalaxyl-M
HY-121109SBenalaxyl-d5
166172(R) -Benalaxyl
TRC-B131905-500MG(R)-Benalaxyl
TRC-B131930-750MG(S)-Benalaxyl

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