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[ CAS No. 17343-27-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 17343-27-0
Chemical Structure| 17343-27-0
Structure of 17343-27-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 17343-27-0 ]

CAS No. :17343-27-0 MDL No. :MFCD06795798
Formula : C7H15NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :FPDYKABXINADKS-LURJTMIESA-N
M.W : 145.20 Pubchem ID :7010351
Synonyms :

Calculated chemistry of [ 17343-27-0 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.86
Num. rotatable bonds : 5
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 40.34
TPSA : 49.33 Ų

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) : -7.94 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.67
Log Po/w (XLOGP3) : -1.06
Log Po/w (WLOGP) : 0.85
Log Po/w (MLOGP) : -1.47
Log Po/w (SILICOS-IT) : 0.49
Consensus Log Po/w : 0.1

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.26
Solubility : 263.0 mg/ml ; 1.81 mol/l
Class : Highly soluble
Log S (Ali) : 0.51
Solubility : 473.0 mg/ml ; 3.26 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -1.32
Solubility : 6.95 mg/ml ; 0.0479 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.71

Safety of [ 17343-27-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 UN#:
Hazard Statements:H302-H312-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 17343-27-0 ]

* 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 [ 17343-27-0 ]

[ 17343-27-0 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 67-56-1 ]
  • [ 17343-27-0 ]
  • [ 792124-15-3 ]
YieldReaction ConditionsOperation in experiment
With thionyl chloride
  • 2
  • [ 17345-52-7 ]
  • [ 17343-27-0 ]
YieldReaction ConditionsOperation in experiment
With hydrogen; acetic acid
  • 3
  • [ 67-56-1 ]
  • [ 17343-27-0 ]
  • N-methyl-L-norleucine methyl ester hydrochloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
93% With hydrogenchloride Heating;
  • 4
  • [ 327-57-1 ]
  • [ 17343-27-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: (i) NaOH, (ii) aq. NaBH4 2: aq. HCO2H 3: H2, AcOH / Pd-C
  • 5
  • [ 17345-51-6 ]
  • [ 17343-27-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: aq. HCO2H 2: H2, AcOH / Pd-C
  • 6
  • [ 24424-99-5 ]
  • [ 17343-27-0 ]
  • [ 117903-25-0 ]
YieldReaction ConditionsOperation in experiment
With triethylamine In sodium hydrogencarbonate; ethyl acetate; N,N-dimethyl-formamide 30.A A. A. N-Boc-N-methyl-L-norleucine N-methyl-L-Norleucine (1.0 g) (J. Chem. Soc. 1968, p. 930) was dissolved in 11 mL DMF at 0° C. and treated with 2.1 mL triethylamine followed by 1.74 mL di-t-butyl dicarbonate. The mixture was stirred at 0° C. for 4 hours and then allowed to warm to 20° C. overnight. The mixture was concentrated, dissolved in a mixture of aqueous saturated sodium bicarbonate and ethyl acetate. The aqueous layer was separated, washed with ethyl acetate and acidified with HCl in the presence of ethyl acetate. This organic layer was separated and combined with further ethyl acetate extracts of the aqueous layer, dried over magnesium sulfate and concentrated giving 1.17 g of yellow oil.
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