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CPFX2090

CAT: 0013-GTR19206159-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206159-02Size:50 mg
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Description
CPFX2090 is a cephalosporin-based small molecule antibacterial agent for research use. It is suitable for in vitro studies of bacterial susceptibility and in vivo models investigating the efficacy of beta-lactam antibiotics against resistant pathogens.
CAS Number
1429439-25-7
Field of Research
Infectious Disease & Virology
Smiles
O=C1C (=CN (C2=CC (OCC3=CC=C (OC) C=C3) =C (OCC4=CC=C (OC) C=C4) C (Cl) =C12) CC) CO
Molecular Formula
C28H28ClNO6
Molecular Weight
509.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-chloro-1-ethyl-3-(hydroxymethyl)-6,7-bis((4-methoxybenzyl)oxy)quinolin-4(1H)-one
CAS Number1429439-25-7
PubChem CID86732765
IUPAC Name5-chloro-1-ethyl-3-(hydroxymethyl)-6,7-bis[(4-methoxyphenyl)methoxy]quinolin-4-one
Molecular FormulaC28H28ClNO6
Molecular Weight510.0
XLogP5.2
Topological Polar Surface Area77.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity734
SMILES
CCN1C=C(C(=O)C2=C(C(=C(C=C21)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC)Cl)CO
InChI
InChI=1S/C28H28ClNO6/c1-4-30-14-20(15-31)27(32)25-23(30)13-24(35-16-18-5-9-21(33-2)10-6-18)28(26(25)29)36-17-19-7-11-22(34-3)12-8-19/h5-14,31H,4,15-17H2,1-3H3
InChIKey
NBANTPQMJJCEEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-chloro-1-ethyl-3-(hydroxymethyl)-6,7-bis((4-methoxybenzyl)oxy)quinolin-4(1H)-one
CAS: 1429439-25-7
CID: 86732765
Formula: C28H28ClNO6
MW: 510.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.0
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass509.1605153
Monoisotopic Mass509.1605153
Topological Polar Surface Area77.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity734
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

Alternative Products

CatalogName
EHC43925-01CPFX2090

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