Home Cart 0 Sign in  

[ CAS No. 1279865-95-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1279865-95-0
Chemical Structure| 1279865-95-0
Structure of 1279865-95-0 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 1279865-95-0 ]

Related Doc. of [ 1279865-95-0 ]

Alternatived Products of [ 1279865-95-0 ]
Product Citations

Product Details of [ 1279865-95-0 ]

CAS No. :1279865-95-0 MDL No. :N/A
Formula : C9H9N3O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :JBNDPDJGDUNATA-UHFFFAOYSA-N
M.W : 191.19 Pubchem ID :69030593
Synonyms :

Calculated chemistry of [ 1279865-95-0 ]      Expand+

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 : 2.0
Molar Refractivity : 51.78
TPSA : 81.0 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) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.12
Log Po/w (XLOGP3) : 1.06
Log Po/w (WLOGP) : 0.94
Log Po/w (MLOGP) : 1.15
Log Po/w (SILICOS-IT) : 1.11
Consensus Log Po/w : 0.88

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.04
Solubility : 1.76 mg/ml ; 0.00919 mol/l
Class : Soluble
Log S (Ali) : -2.35
Solubility : 0.85 mg/ml ; 0.00444 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.63
Solubility : 0.447 mg/ml ; 0.00234 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.68

Safety of [ 1279865-95-0 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 1279865-95-0 ]

Esters

Chemical Structure| 170487-40-8

[ 170487-40-8 ]

Methyl 1H-indazole-6-carboxylate

Similarity: 0.87

Chemical Structure| 473416-12-5

[ 473416-12-5 ]

Methyl 1H-indazole-5-carboxylate

Similarity: 0.87

Chemical Structure| 755752-82-0

[ 755752-82-0 ]

Methyl 1H-indazole-7-carboxylate

Similarity: 0.86

Chemical Structure| 179057-10-4

[ 179057-10-4 ]

Methyl 4-(1H-pyrazol-5-yl)benzoate

Similarity: 0.82

Chemical Structure| 885518-56-9

[ 885518-56-9 ]

Methyl 6-amino-1H-indazole-4-carboxylate

Similarity: 0.81

Amines

Chemical Structure| 871709-92-1

[ 871709-92-1 ]

3-Amino-1H-indazole-6-carboxylic acid

Similarity: 0.95

Chemical Structure| 871709-84-1

[ 871709-84-1 ]

3-Amino-1H-indazole-5-carboxylic acid

Similarity: 0.95

Chemical Structure| 885518-56-9

[ 885518-56-9 ]

Methyl 6-amino-1H-indazole-4-carboxylate

Similarity: 0.81

Chemical Structure| 73907-95-6

[ 73907-95-6 ]

6-Amino-1H-indazole-7-carboxylic acid

Similarity: 0.81

Chemical Structure| 73907-98-9

[ 73907-98-9 ]

Methyl 6-amino-1H-indazole-7-carboxylate

Similarity: 0.80

Related Parent Nucleus of
[ 1279865-95-0 ]

Indazoles

Chemical Structure| 871709-92-1

[ 871709-92-1 ]

3-Amino-1H-indazole-6-carboxylic acid

Similarity: 0.95

Chemical Structure| 871709-84-1

[ 871709-84-1 ]

3-Amino-1H-indazole-5-carboxylic acid

Similarity: 0.95

Chemical Structure| 170487-40-8

[ 170487-40-8 ]

Methyl 1H-indazole-6-carboxylate

Similarity: 0.87

Chemical Structure| 473416-12-5

[ 473416-12-5 ]

Methyl 1H-indazole-5-carboxylate

Similarity: 0.87

Chemical Structure| 755752-82-0

[ 755752-82-0 ]

Methyl 1H-indazole-7-carboxylate

Similarity: 0.86

; ;