Home Cart 0 Sign in  
X

[ CAS No. 1227269-07-9 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1227269-07-9
Chemical Structure| 1227269-07-9
Chemical Structure| 1227269-07-9
Structure of 1227269-07-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Quality Control of [ 1227269-07-9 ]

Related Doc. of [ 1227269-07-9 ]

SDS
Alternatived Products of [ 1227269-07-9 ]

Product Details of [ 1227269-07-9 ]

CAS No. :1227269-07-9 MDL No. :MFCD16875728
Formula : C9H7ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :210.62 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of of [ 1227269-07-9 ]

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 : 1.0
Molar Refractivity : 52.38
TPSA : 54.98 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) : -6.14 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.34
Log Po/w (XLOGP3) : 2.03
Log Po/w (WLOGP) : 2.0
Log Po/w (MLOGP) : 1.61
Log Po/w (SILICOS-IT) : 2.47
Consensus Log Po/w : 1.89

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.77
Solubility : 0.359 mg/ml ; 0.0017 mol/l
Class : Soluble
Log S (Ali) : -2.81
Solubility : 0.324 mg/ml ; 0.00154 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.61
Solubility : 0.0517 mg/ml ; 0.000245 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.73

Safety of [ 1227269-07-9 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:
Historical Records

Related Functional Groups of
[ 1227269-07-9 ]

Chlorides

Chemical Structure| 1227270-44-1

[ 1227270-44-1 ]

5-Chloro-1H-indazole-6-carboxylic acid

Similarity: 0.92

Chemical Structure| 885519-19-7

[ 885519-19-7 ]

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

Similarity: 0.89

Chemical Structure| 885519-72-2

[ 885519-72-2 ]

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

Similarity: 0.89

Chemical Structure| 1260851-48-6

[ 1260851-48-6 ]

Methyl 7-chloro-1H-indazole-5-carboxylate

Similarity: 0.85

Chemical Structure| 1260851-42-0

[ 1260851-42-0 ]

Methyl 5-chloro-1H-indazole-7-carboxylate

Similarity: 0.83

Esters

Chemical Structure| 885519-19-7

[ 885519-19-7 ]

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

Similarity: 0.89

Chemical Structure| 885519-72-2

[ 885519-72-2 ]

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

Similarity: 0.89

Chemical Structure| 1260851-48-6

[ 1260851-48-6 ]

Methyl 7-chloro-1H-indazole-5-carboxylate

Similarity: 0.85

Chemical Structure| 1260851-42-0

[ 1260851-42-0 ]

Methyl 5-chloro-1H-indazole-7-carboxylate

Similarity: 0.83

Chemical Structure| 1227270-79-2

[ 1227270-79-2 ]

Methyl 5-chloro-3-iodo-1H-indazole-6-carboxylate

Similarity: 0.82

Related Parent Nucleus of
[ 1227269-07-9 ]

Indazoles

Chemical Structure| 1227270-44-1

[ 1227270-44-1 ]

5-Chloro-1H-indazole-6-carboxylic acid

Similarity: 0.92

Chemical Structure| 885519-19-7

[ 885519-19-7 ]

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

Similarity: 0.89

Chemical Structure| 885519-72-2

[ 885519-72-2 ]

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

Similarity: 0.89

Chemical Structure| 1890961-61-1

[ 1890961-61-1 ]

6-Chloro-1H-indazole-5-carboxylic acid

Similarity: 0.89

Chemical Structure| 1260851-48-6

[ 1260851-48-6 ]

Methyl 7-chloro-1H-indazole-5-carboxylate

Similarity: 0.85