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[ CAS No. 2832-19-1 ] {[proInfo.proName]}

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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+
3d Animation Molecule Structure of 2832-19-1
Chemical Structure| 2832-19-1
Chemical Structure| 2832-19-1
Structure of 2832-19-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2832-19-1 ]

CAS No. :2832-19-1 MDL No. :MFCD00021961
Formula : C3H6ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :TXNSZCSYBXHETP-UHFFFAOYSA-N
M.W : 123.54 Pubchem ID :62466
Synonyms :

Calculated chemistry of [ 2832-19-1 ]

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 3
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 25.49
TPSA : 49.33 Ų

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) : -7.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.26
Log Po/w (XLOGP3) : -0.42
Log Po/w (WLOGP) : -0.71
Log Po/w (MLOGP) : -0.39
Log Po/w (SILICOS-IT) : -0.1
Consensus Log Po/w : -0.07

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.14
Solubility : 88.8 mg/ml ; 0.719 mol/l
Class : Very soluble
Log S (Ali) : -0.15
Solubility : 87.2 mg/ml ; 0.706 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.69
Solubility : 25.5 mg/ml ; 0.206 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.52

Safety of [ 2832-19-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2832-19-1 ]

* 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.

  • Upstream synthesis route of [ 2832-19-1 ]
  • Downstream synthetic route of [ 2832-19-1 ]

[ 2832-19-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 50-00-0 ]
  • [ 79-07-2 ]
  • [ 2832-19-1 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1905, vol. 343, p. 277
[2] Patent: DE162395, , ,
[3] Justus Liebigs Annalen der Chemie, 1905, vol. 343, p. 290
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