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[ CAS No. 3775-73-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3775-73-3
Chemical Structure| 3775-73-3
Structure of 3775-73-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 3775-73-3 ]

CAS No. :3775-73-3 MDL No. :MFCD00211284
Formula : C4H9NO2 Boiling Point : No data available
Linear Structure Formula :CH3CHNH2CH2CO2H InChI Key :OQEBBZSWEGYTPG-GSVOUGTGSA-N
M.W : 103.12 Pubchem ID :5706670
Synonyms :
Chemical Name :(R)-3-Aminobutanoic acid

Calculated chemistry of [ 3775-73-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 25.82
TPSA : 63.32 ?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) : -9.1 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.75
Log Po/w (XLOGP3) : -3.06
Log Po/w (WLOGP) : -0.19
Log Po/w (MLOGP) : -0.39
Log Po/w (SILICOS-IT) : -0.73
Consensus Log Po/w : -0.73

Druglikeness

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

Water Solubility

Log S (ESOL) : 1.58
Solubility : 3920.0 mg/ml ; 38.1 mol/l
Class : Highly soluble
Log S (Ali) : 2.29
Solubility : 20300.0 mg/ml ; 197.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.34
Solubility : 225.0 mg/ml ; 2.18 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.18

Safety of [ 3775-73-3 ]

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

Application In Synthesis of [ 3775-73-3 ]

* 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 [ 3775-73-3 ]

[ 3775-73-3 ] Synthesis Path-Downstream   1~13

  • 1
  • [ 3775-73-3 ]
  • [ 86-14-6 ]
  • 2
  • [ 21948-18-5 ]
  • [ 3775-73-3 ]
  • 3
  • [ 75-15-0 ]
  • [ 3775-73-3 ]
  • [ 74-88-4 ]
  • D-(-)-β-Amino-buttersaeure-methyl-dithiocarbamat [ No CAS ]
  • 4
  • [ 75-77-4 ]
  • [ 3775-73-3 ]
  • [ 139243-54-2 ]
  • 5
  • [ 3775-73-3 ]
  • [ 383-63-1 ]
  • [ 158462-50-1 ]
  • 7
  • [ 3775-73-3 ]
  • [ 98-88-4 ]
  • [ 113034-29-0 ]
  • 8
  • [ 132540-67-1 ]
  • [ 3775-73-3 ]
  • 9
  • [ 394220-59-8 ]
  • [ 3775-73-3 ]
  • 10
  • [ 120686-16-0 ]
  • [ 3775-73-3 ]
  • 11
  • [ 3775-73-3 ]
  • [ 501-53-1 ]
  • [ 67843-72-5 ]
  • 12
  • [ 1067647-39-5 ]
  • [ 3775-73-3 ]
  • 13
  • [ 540-88-5 ]
  • [ 3775-73-3 ]
  • [ 120686-16-0 ]
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