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[ CAS No. 619-10-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 619-10-3
Chemical Structure| 619-10-3
Structure of 619-10-3 * Storage: {[proInfo.prStorage]}

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Product Citations

Product Citations

Dube, Phelelisiwe S. ; Angula, Klaudia T. ; Legoabe, Lesetja J. , et al. DOI: PubMed ID:

Abstract: Herein, we describe 39 novel quinolone compounds bearing a hydrophilic amine chain and varied substituted benzyloxy units. These compounds demonstrate broad-spectrum activities against acid-fast bacterium, Gram-pos. and -neg. bacteria, fungi, and leishmania parasite. Compound 30 maintained antitubercular activity against moxifloxacin-, isoniazid-, and rifampicin-resistant Mycobacterium tuberculosis, while 37 exhibited low micromolar activities (<1 μg/mL) against World Health Organization (WHO) critical pathogens: Cryptococcus neoformans, Acinetobacter baumannii, and Pseudomonas aeruginosa. Compounds in this study are metabolically robust, demonstrating % remnant of >98% after 30 min in the presence of human, rat, and mouse liver microsomes. Several compounds thus reported here are promising leads for the treatment of diseases caused by infectious agents.

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Product Details of [ 619-10-3 ]

CAS No. :619-10-3 MDL No. :MFCD01571825
Formula : C6H4ClNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :BUMGQSCPTLELLS-UHFFFAOYSA-N
M.W : 173.55 Pubchem ID :69264
Synonyms :

Calculated chemistry of [ 619-10-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 42.3
TPSA : 66.05 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.32
Log Po/w (XLOGP3) : 1.98
Log Po/w (WLOGP) : 2.48
Log Po/w (MLOGP) : 0.79
Log Po/w (SILICOS-IT) : 0.27
Consensus Log Po/w : 1.37

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.5
Solubility : 0.547 mg/ml ; 0.00315 mol/l
Class : Soluble
Log S (Ali) : -2.99
Solubility : 0.176 mg/ml ; 0.00102 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.29
Solubility : 0.884 mg/ml ; 0.00509 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.49

Safety of [ 619-10-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 619-10-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 619-10-3 ]

[ 619-10-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 19748-66-4 ]
  • [ 619-10-3 ]
  • 1-[3-(2-chloro-5-nitrophenoxy)propyl]pyrrolidine [ No CAS ]
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