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[ CAS No. 19141-39-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 19141-39-0
Chemical Structure| 19141-39-0
Structure of 19141-39-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 19141-39-0 ]

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Product Citations

Product Details of [ 19141-39-0 ]

CAS No. :19141-39-0 MDL No. :MFCD01862132
Formula : C3H7ClO Boiling Point : -
Linear Structure Formula :- InChI Key :YYTSGNJTASLUOY-GSVOUGTGSA-N
M.W : 94.54 Pubchem ID :6999046
Synonyms :

Calculated chemistry of [ 19141-39-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 5
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 22.49
TPSA : 20.23 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.46
Log Po/w (XLOGP3) : 0.57
Log Po/w (WLOGP) : 0.61
Log Po/w (MLOGP) : 0.75
Log Po/w (SILICOS-IT) : 0.57
Consensus Log Po/w : 0.79

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.72
Solubility : 18.0 mg/ml ; 0.191 mol/l
Class : Very soluble
Log S (Ali) : -0.57
Solubility : 25.6 mg/ml ; 0.271 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.67
Solubility : 20.1 mg/ml ; 0.213 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.14

Safety of [ 19141-39-0 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P403+P235 UN#:1993
Hazard Statements:H225 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 19141-39-0 ]

* 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 [ 19141-39-0 ]

[ 19141-39-0 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 78-95-5 ]
  • [ 37493-16-6 ]
  • [ 19141-39-0 ]
  • 2
  • [ 187737-37-7 ]
  • [ 78-89-7 ]
  • [ 37493-16-6 ]
  • [ 19141-39-0 ]
  • 3
  • [ 187737-37-7 ]
  • [ 19210-21-0 ]
  • [ 37493-16-6 ]
  • [ 19141-39-0 ]
  • [ 37493-14-4 ]
  • 4
  • [ 36220-92-5 ]
  • [ 37493-16-6 ]
  • [ 19141-39-0 ]
  • 1-chloro-2-benzoyloxypropane [ No CAS ]
  • 1-chloro-2-benzoyloxypropane [ No CAS ]
  • 6
  • [ 108-05-4 ]
  • [ 127-00-4 ]
  • [ 37493-16-6 ]
  • [ 19141-39-0 ]
  • (R)-(+)-2-acetoxy-1-chloropropane [ No CAS ]
  • 7
  • [ 108-05-4 ]
  • [ 127-00-4 ]
  • [ 37493-16-6 ]
  • [ 19141-39-0 ]
  • (R)-(+)-2-acetoxy-1-chloropropane [ No CAS ]
  • (S)-(-)-2-acetoxy-1-chloropropane [ No CAS ]
  • 8
  • [ 19141-39-0 ]
  • [ 34334-96-8 ]
  • (2R)-1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-2-ol [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% With potassium carbonate; In acetonitrile; at 85℃; Add acetonitrile (41 mL) to a mixture of 5-methyi-3-nitro-IH-pyrazole (1.1 g, 8.2mmnoi), potassium carbonate (2.3 g, 2.0 eq). and (R)-I-chioro-2-propanoi (092 mL, 1.3eq). Stir at 85 ?C overnighi. Cool to ri. Filter and rinse the solids with EtOAc, Concentrate the filtrate in vacuo to provide a residue. Subject the residue to normal phase chromatography, eluting with 50% EtOAc in hexanes, to give the title compound as a white solid (0.74 g, 48%). MS (ES) in/i 186 (M+F1).
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Technical Information

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