Home Cart 0 Sign in  

[ CAS No. 14714-22-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14714-22-8
Chemical Structure| 14714-22-8
Structure of 14714-22-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 14714-22-8 ]

Related Doc. of [ 14714-22-8 ]

Alternatived Products of [ 14714-22-8 ]
Product Citations

Product Details of [ 14714-22-8 ]

CAS No. :14714-22-8 MDL No. :MFCD08704709
Formula : C8H6ClN3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :QPUBOGNHAFQPOP-UHFFFAOYSA-N
M.W : 211.61 Pubchem ID :15669752
Synonyms :

Calculated chemistry of [ 14714-22-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 49.92
TPSA : 67.49 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.28
Log Po/w (XLOGP3) : 1.55
Log Po/w (WLOGP) : 1.39
Log Po/w (MLOGP) : 1.15
Log Po/w (SILICOS-IT) : 0.88
Consensus Log Po/w : 1.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.54
Solubility : 0.613 mg/ml ; 0.0029 mol/l
Class : Soluble
Log S (Ali) : -2.58
Solubility : 0.561 mg/ml ; 0.00265 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.1
Solubility : 1.69 mg/ml ; 0.008 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.23

Safety of [ 14714-22-8 ]

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 [ 14714-22-8 ]

* 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 [ 14714-22-8 ]
  • Downstream synthetic route of [ 14714-22-8 ]

[ 14714-22-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 14714-18-2 ]
  • [ 14714-22-8 ]
Reference: [1] Farmaco, 1992, vol. 47, # 6, p. 931 - 944
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 14714-22-8 ]

Chlorides

Chemical Structure| 1208084-53-0

[ 1208084-53-0 ]

6-Chloroimidazo[1,2-b]pyridazine-3-carboxylic acid

Similarity: 0.92

Chemical Structure| 14714-24-0

[ 14714-24-0 ]

6-Chloroimidazo[1,2-b]pyridazine-2-carboxylic acid

Similarity: 0.90

Chemical Structure| 1150566-27-0

[ 1150566-27-0 ]

Ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate

Similarity: 0.86

Chemical Structure| 572910-59-9

[ 572910-59-9 ]

Methyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate

Similarity: 0.85

Chemical Structure| 64067-99-8

[ 64067-99-8 ]

Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate

Similarity: 0.84

Carboxylic Acids

Chemical Structure| 1208084-53-0

[ 1208084-53-0 ]

6-Chloroimidazo[1,2-b]pyridazine-3-carboxylic acid

Similarity: 0.92

Chemical Structure| 14714-24-0

[ 14714-24-0 ]

6-Chloroimidazo[1,2-b]pyridazine-2-carboxylic acid

Similarity: 0.90

Chemical Structure| 500011-86-9

[ 500011-86-9 ]

3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid

Similarity: 0.69

Chemical Structure| 438450-39-6

[ 438450-39-6 ]

1-(3-Chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

Similarity: 0.65

Chemical Structure| 21801-79-6

[ 21801-79-6 ]

2-Methylimidazo[1,2-a]pyridine-3-carboxylic acid

Similarity: 0.65

Related Parent Nucleus of
[ 14714-22-8 ]

Other Aromatic Heterocycles

Chemical Structure| 1208084-53-0

[ 1208084-53-0 ]

6-Chloroimidazo[1,2-b]pyridazine-3-carboxylic acid

Similarity: 0.92

Chemical Structure| 14714-24-0

[ 14714-24-0 ]

6-Chloroimidazo[1,2-b]pyridazine-2-carboxylic acid

Similarity: 0.90

Chemical Structure| 1150566-27-0

[ 1150566-27-0 ]

Ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate

Similarity: 0.86

Chemical Structure| 572910-59-9

[ 572910-59-9 ]

Methyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate

Similarity: 0.85

Chemical Structure| 64067-99-8

[ 64067-99-8 ]

Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate

Similarity: 0.84