Home Cart 0 Sign in  
X

[ CAS No. 16328-62-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 16328-62-4
Chemical Structure| 16328-62-4
Chemical Structure| 16328-62-4
Structure of 16328-62-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 16328-62-4 ]

Related Doc. of [ 16328-62-4 ]

Alternatived Products of [ 16328-62-4 ]

Product Details of [ 16328-62-4 ]

CAS No. :16328-62-4 MDL No. :MFCD00464845
Formula : C6H5N3O Boiling Point : -
Linear Structure Formula :- InChI Key :PGDIPOWQYRAOSK-UHFFFAOYSA-N
M.W : 135.12 Pubchem ID :519250
Synonyms :

Calculated chemistry of [ 16328-62-4 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 36.71
TPSA : 61.54 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) : -7.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.79
Log Po/w (XLOGP3) : -0.17
Log Po/w (WLOGP) : 0.25
Log Po/w (MLOGP) : 0.03
Log Po/w (SILICOS-IT) : 1.75
Consensus Log Po/w : 0.53

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.24
Solubility : 7.84 mg/ml ; 0.058 mol/l
Class : Very soluble
Log S (Ali) : -0.67
Solubility : 29.1 mg/ml ; 0.215 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.41
Solubility : 0.522 mg/ml ; 0.00386 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.5

Safety of [ 16328-62-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 16328-62-4 ]

* 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 [ 16328-62-4 ]
  • Downstream synthetic route of [ 16328-62-4 ]

[ 16328-62-4 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 16328-62-4 ]
  • [ 273-21-2 ]
Reference: [1] Archiv der Pharmazie (Weinheim, Germany), 1957, vol. 290, p. 20,26
  • 2
  • [ 452-58-4 ]
  • [ 16328-62-4 ]
  • [ 7397-68-4 ]
Reference: [1] Patent: US5281589, 1994, A,
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 16328-62-4 ]

Amides

Chemical Structure| 40851-98-7

[ 40851-98-7 ]

5-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)-one

Similarity: 0.88

Chemical Structure| 148038-83-9

[ 148038-83-9 ]

6-Bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one

Similarity: 0.86

Chemical Structure| 185961-99-3

[ 185961-99-3 ]

1-(Piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one

Similarity: 0.84

Chemical Structure| 6268-43-5

[ 6268-43-5 ]

1,3-Di(pyridin-2-yl)urea

Similarity: 0.80

Chemical Structure| 29448-81-5

[ 29448-81-5 ]

1H-Imidazo[4,5-b]pyridine-2(3H)-thione

Similarity: 0.78

Related Parent Nucleus of
[ 16328-62-4 ]

Other Aromatic Heterocycles

Chemical Structure| 40851-98-7

[ 40851-98-7 ]

5-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)-one

Similarity: 0.88

Chemical Structure| 148038-83-9

[ 148038-83-9 ]

6-Bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one

Similarity: 0.86

Chemical Structure| 185961-99-3

[ 185961-99-3 ]

1-(Piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one

Similarity: 0.84

Chemical Structure| 29448-81-5

[ 29448-81-5 ]

1H-Imidazo[4,5-b]pyridine-2(3H)-thione

Similarity: 0.78

Chemical Structure| 67074-71-9

[ 67074-71-9 ]

1-Methylpyrido[2,3-b]pyrazine-2,3(1H,4H)-dione

Similarity: 0.73