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[ CAS No. 35677-89-5 ] Cbz-Hse-Lactone

Cat. No.: A173115
Chemical Structure| 35677-89-5
Chemical Structure| 35677-89-5
Structure of 35677-89-5 * Storage: Keep in dark place,Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
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* Storage: Keep in dark place,Sealed in dry,Room Temperature

Quality Control of [ 35677-89-5 ]

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Product Details of [ 35677-89-5 ]

CAS No. :35677-89-5 MDL No. :MFCD00674555
Formula : C12H13NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :FKWDZIFOVOUDAG-JTQLQIEISA-N
M.W : 235.24 Pubchem ID :489185
Synonyms :
Chemical Name :(S)-Benzyl (2-oxotetrahydrofuran-3-yl)carbamate

Calculated chemistry of [ 35677-89-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 59.09
TPSA : 64.63 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) : -6.65 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.91
Log Po/w (XLOGP3) : 1.53
Log Po/w (WLOGP) : 1.08
Log Po/w (MLOGP) : 1.04
Log Po/w (SILICOS-IT) : 1.41
Consensus Log Po/w : 1.39

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.19
Solubility : 1.51 mg/ml ; 0.0064 mol/l
Class : Soluble
Log S (Ali) : -2.5
Solubility : 0.751 mg/ml ; 0.00319 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.06
Solubility : 0.206 mg/ml ; 0.000875 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.82

Safety of [ 35677-89-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 35677-89-5 ]

* 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 [ 35677-89-5 ]
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