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[ CAS No. 72784-42-0 ] {[proInfo.proName]}

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Chemical Structure| 72784-42-0
Chemical Structure| 72784-42-0
Structure of 72784-42-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 72784-42-0 ]

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Product Details of [ 72784-42-0 ]

CAS No. :72784-42-0 MDL No. :MFCD00078879
Formula : C5H10ClNO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :CHSDCWKLSHPKFY-UHFFFAOYSA-N
M.W : 151.59 Pubchem ID :12760695
Synonyms :
Chemical Name :Methyl 1-aminocyclopropanecarboxylate hydrochloride

Calculated chemistry of [ 72784-42-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 35.03
TPSA : 52.32 ?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) : -6.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.35
Log Po/w (WLOGP) : 0.39
Log Po/w (MLOGP) : 0.0
Log Po/w (SILICOS-IT) : 0.19
Consensus Log Po/w : 0.19

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.87
Solubility : 20.5 mg/ml ; 0.135 mol/l
Class : Very soluble
Log S (Ali) : -1.01
Solubility : 14.7 mg/ml ; 0.097 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.36
Solubility : 66.2 mg/ml ; 0.437 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.05

Safety of [ 72784-42-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 72784-42-0 ]

* 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 [ 72784-42-0 ]

[ 72784-42-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 34404-33-6 ]
  • [ 72784-42-0 ]
  • Boc-D-Ala-Ac3c-OMe [ No CAS ]
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