Home Cart 0 Sign in  
X

[ CAS No. 908581-18-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 908581-18-0
Chemical Structure| 908581-18-0
Chemical Structure| 908581-18-0
Structure of 908581-18-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 908581-18-0 ]

Related Doc. of [ 908581-18-0 ]

Alternatived Products of [ 908581-18-0 ]

Product Details of [ 908581-18-0 ]

CAS No. :908581-18-0 MDL No. :MFCD13195317
Formula : C9H7BrN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :HVNRXVYXTRSZKM-UHFFFAOYSA-N
M.W : 255.07 Pubchem ID :57362633
Synonyms :

Calculated chemistry of [ 908581-18-0 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.11
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 54.17
TPSA : 43.6 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) : -6.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.09
Log Po/w (XLOGP3) : 2.31
Log Po/w (WLOGP) : 1.88
Log Po/w (MLOGP) : 1.35
Log Po/w (SILICOS-IT) : 1.43
Consensus Log Po/w : 1.81

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.22
Solubility : 0.154 mg/ml ; 0.000602 mol/l
Class : Soluble
Log S (Ali) : -2.86
Solubility : 0.349 mg/ml ; 0.00137 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.02
Solubility : 0.244 mg/ml ; 0.000957 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.84

Safety of [ 908581-18-0 ]

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:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 908581-18-0 ]

Bromides

Chemical Structure| 903129-78-2

[ 903129-78-2 ]

6-Bromoimidazo[1,2-a]pyridine-8-carboxylic acid

Similarity: 0.94

Chemical Structure| 603311-76-8

[ 603311-76-8 ]

Ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate

Similarity: 0.75

Chemical Structure| 50735-34-7

[ 50735-34-7 ]

Methyl 2-amino-5-bromopyridine-3-carboxylate

Similarity: 0.75

Chemical Structure| 217435-65-9

[ 217435-65-9 ]

6-Bromo-8-methylimidazo[1,2-a]pyridine

Similarity: 0.74

Chemical Structure| 1042141-37-6

[ 1042141-37-6 ]

Methyl 2-bromoimidazo[1,2-a]pyridine-6-carboxylate

Similarity: 0.73

Esters

Chemical Structure| 133427-07-3

[ 133427-07-3 ]

Methyl imidazo[1,2-a]pyridine-8-carboxylate

Similarity: 0.91

Chemical Structure| 760144-55-6

[ 760144-55-6 ]

Methyl 6-chloroimidazo[1,2-a]pyridine-8-carboxylate

Similarity: 0.82

Chemical Structure| 1262409-63-1

[ 1262409-63-1 ]

Ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate

Similarity: 0.78

Chemical Structure| 603311-76-8

[ 603311-76-8 ]

Ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate

Similarity: 0.75

Chemical Structure| 50735-34-7

[ 50735-34-7 ]

Methyl 2-amino-5-bromopyridine-3-carboxylate

Similarity: 0.75

Related Parent Nucleus of
[ 908581-18-0 ]

Other Aromatic Heterocycles

Chemical Structure| 903129-78-2

[ 903129-78-2 ]

6-Bromoimidazo[1,2-a]pyridine-8-carboxylic acid

Similarity: 0.94

Chemical Structure| 133427-07-3

[ 133427-07-3 ]

Methyl imidazo[1,2-a]pyridine-8-carboxylate

Similarity: 0.91

Chemical Structure| 133427-08-4

[ 133427-08-4 ]

Imidazo[1,2-a]pyridine-8-carboxylic acid

Similarity: 0.85

Chemical Structure| 760144-55-6

[ 760144-55-6 ]

Methyl 6-chloroimidazo[1,2-a]pyridine-8-carboxylate

Similarity: 0.82

Chemical Structure| 1262409-63-1

[ 1262409-63-1 ]

Ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate

Similarity: 0.78