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[ CAS No. 622-95-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Inaccessible (Haz class 6.1), International USD 150+
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Chemical Structure| 622-95-7
Chemical Structure| 622-95-7
Structure of 622-95-7 * Storage: {[proInfo.prStorage]}

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Product Citations

Product Citations      Expand+

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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Zehuan Huang ; Xiaoyi Chen ; Stephen J. K. O’Neill , et al. DOI: PubMed ID:

Abstract: Supramolecular polymer networks are non-covalently crosslinked soft materials that exhibit unique mechanical features such as self-healing, high toughness and stretchability. Previous studies have focused on optimizing such properties using fast-dissociative crosslinks (that is, for an aqueous system, dissociation rate constant kd?>?10?s?1). Herein, we describe non-covalent crosslinkers with slow, tuneable dissociation kinetics (kd?

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Product Details of [ 622-95-7 ]

CAS No. :622-95-7 MDL No. :MFCD00040714
Formula : C7H6BrCl Boiling Point : -
Linear Structure Formula :- InChI Key :KQNBRMUBPRGXSL-UHFFFAOYSA-N
M.W : 205.48 Pubchem ID :69329
Synonyms :
Chemical Name :1-(Bromomethyl)-4-chlorobenzene

Calculated chemistry of [ 622-95-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.29
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.32
Log Po/w (XLOGP3) : 3.35
Log Po/w (WLOGP) : 3.08
Log Po/w (MLOGP) : 3.68
Log Po/w (SILICOS-IT) : 3.49
Consensus Log Po/w : 3.18

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.65
Solubility : 0.0458 mg/ml ; 0.000223 mol/l
Class : Soluble
Log S (Ali) : -3.03
Solubility : 0.193 mg/ml ; 0.000939 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.28
Solubility : 0.0109 mg/ml ; 0.000053 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.52

Safety of [ 622-95-7 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:1759
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 622-95-7 ]

* 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 [ 622-95-7 ]

[ 622-95-7 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 119838-38-9 ]
  • [ 622-95-7 ]
  • [ 123052-81-3 ]
  • 2
  • [ 622-95-7 ]
  • [ 116970-50-4 ]
  • [ 116970-58-2 ]
  • 3
  • [ 107819-90-9 ]
  • [ 622-95-7 ]
  • 1,3-bis-tert-butoxycarbonyl-1-(4'-chlorobenzyl)-2-methyl-2-thiopseudourea [ No CAS ]
  • 4
  • [ 106-43-4 ]
  • [ 57310-39-1 ]
  • [ 622-95-7 ]
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