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[ CAS No. 73150-67-1 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 73150-67-1
Chemical Structure| 73150-67-1
Chemical Structure| 73150-67-1
Structure of 73150-67-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 73150-67-1 ]

CAS No. :73150-67-1 MDL No. :MFCD00274532
Formula : C5H4N2O3S Boiling Point : -
Linear Structure Formula :- InChI Key :VMASTYPGLHRVNL-UHFFFAOYSA-N
M.W : 172.16 Pubchem ID :12783320
Synonyms :

Calculated chemistry of [ 73150-67-1 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 38.48
TPSA : 121.52 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) : -7.1 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.49
Log Po/w (XLOGP3) : 0.35
Log Po/w (WLOGP) : 0.0
Log Po/w (MLOGP) : -1.72
Log Po/w (SILICOS-IT) : 0.67
Consensus Log Po/w : -0.04

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.33
Solubility : 8.01 mg/ml ; 0.0465 mol/l
Class : Very soluble
Log S (Ali) : -2.47
Solubility : 0.588 mg/ml ; 0.00342 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.25
Solubility : 96.1 mg/ml ; 0.558 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.19

Safety of [ 73150-67-1 ]

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

Application In Synthesis of [ 73150-67-1 ]

* 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 [ 73150-67-1 ]
  • Downstream synthetic route of [ 73150-67-1 ]

[ 73150-67-1 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 89721-50-6 ]
  • [ 73150-67-1 ]
YieldReaction ConditionsOperation in experiment
67.8% With sodium carbonate In water EXAMPLE 3
To 10.1 g of 2-(2-aminothiazol-4-yl)thioglyoxylic S-acid methyl ester and 80 ml of water was added 10.6 g of sodium carbonate with ice-cooling, and the resulting mixture was stirred at the same temperature for 1 hour.
Subsequently, the thus obtained reaction mixture was adjusted to pH 2.5 with 6 N hydrochloric acid at the same temperature.
The deposited crystals were collected by filtration, washed with water, and then dried to obtain 6.2 g (67.8percent yield) of 2-(2-aminothiazol-4-yl)glyoxylic acid having a melting point of above 200° C.
IR(KBR)cm-1C=O 1660
Reference: [1] Patent: US4563534, 1986, A,
  • 2
  • [ 64987-06-0 ]
  • [ 73150-67-1 ]
Reference: [1] Patent: US4443374, 1984, A,
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