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[ CAS No. 24830-94-2 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 24830-94-2
Chemical Structure| 24830-94-2
Chemical Structure| 24830-94-2
Structure of 24830-94-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 24830-94-2 ]

CAS No. :24830-94-2 MDL No. :MFCD00004526
Formula : C4H9NO3 Boiling Point : -
Linear Structure Formula :CO2HCHNH2CHOHCH3 InChI Key :-
M.W : 119.12 Pubchem ID :-
Synonyms :
Chemical Name :(2R,3R)-2-Amino-3-hydroxybutanoic acid

Calculated chemistry of [ 24830-94-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 26.98
TPSA : 83.55 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) : -9.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.52
Log Po/w (XLOGP3) : -2.94
Log Po/w (WLOGP) : -1.22
Log Po/w (MLOGP) : -3.46
Log Po/w (SILICOS-IT) : -1.36
Consensus Log Po/w : -1.69

Druglikeness

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

Water Solubility

Log S (ESOL) : 1.41
Solubility : 3030.0 mg/ml ; 25.4 mol/l
Class : Highly soluble
Log S (Ali) : 1.75
Solubility : 6620.0 mg/ml ; 55.6 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.25
Solubility : 2100.0 mg/ml ; 17.6 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.79

Safety of [ 24830-94-2 ]

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

Application In Synthesis of [ 24830-94-2 ]

* 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 [ 24830-94-2 ]
  • Downstream synthetic route of [ 24830-94-2 ]

[ 24830-94-2 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 1010433-25-6 ]
  • [ 2623-91-8 ]
  • [ 24830-94-2 ]
  • [ 2480-23-1 ]
  • [ 6384-92-5 ]
  • [ 498-40-8 ]
  • [ 35554-98-4 ]
  • [ 4226-18-0 ]
  • [ 147-85-3 ]
Reference: [1] Journal of Organic Chemistry, 2010, vol. 75, # 23, p. 8012 - 8023
  • 2
  • [ 1256936-18-1 ]
  • [ 2623-91-8 ]
  • [ 24830-94-2 ]
  • [ 2480-23-1 ]
  • [ 6384-92-5 ]
  • [ 498-40-8 ]
  • [ 35554-98-4 ]
  • [ 4226-18-0 ]
  • [ 147-85-3 ]
Reference: [1] Journal of Organic Chemistry, 2010, vol. 75, # 23, p. 8012 - 8023
  • 3
  • [ 1010433-25-6 ]
  • [ 2623-91-8 ]
  • [ 24830-94-2 ]
  • [ 2480-23-1 ]
  • [ 6384-92-5 ]
  • [ 498-40-8 ]
  • [ 35554-98-4 ]
  • [ 4226-18-0 ]
  • [ 147-85-3 ]
Reference: [1] Journal of Organic Chemistry, 2010, vol. 75, # 23, p. 8012 - 8023
  • 4
  • [ 1256936-18-1 ]
  • [ 2623-91-8 ]
  • [ 24830-94-2 ]
  • [ 2480-23-1 ]
  • [ 6384-92-5 ]
  • [ 498-40-8 ]
  • [ 35554-98-4 ]
  • [ 4226-18-0 ]
  • [ 147-85-3 ]
Reference: [1] Journal of Organic Chemistry, 2010, vol. 75, # 23, p. 8012 - 8023
  • 5
  • [ 67-56-1 ]
  • [ 24830-94-2 ]
  • [ 39994-75-7 ]
Reference: [1] Helvetica Chimica Acta, 1957, vol. 40, p. 1531,1544
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