Home Cart 0 Sign in  
X

[ CAS No. 1160574-72-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1160574-72-0
Chemical Structure| 1160574-72-0
Chemical Structure| 1160574-72-0
Structure of 1160574-72-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1160574-72-0 ]

Related Doc. of [ 1160574-72-0 ]

Alternatived Products of [ 1160574-72-0 ]

Product Details of [ 1160574-72-0 ]

CAS No. :1160574-72-0 MDL No. :MFCD11845916
Formula : C7H3Cl2FO2 Boiling Point : -
Linear Structure Formula :- InChI Key :IZIDLDWDRBWVGC-UHFFFAOYSA-N
M.W : 209.00 Pubchem ID :50997844
Synonyms :

Calculated chemistry of [ 1160574-72-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.38
TPSA : 37.3 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.52
Log Po/w (XLOGP3) : 2.8
Log Po/w (WLOGP) : 3.25
Log Po/w (MLOGP) : 3.21
Log Po/w (SILICOS-IT) : 2.94
Consensus Log Po/w : 2.74

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.85

Water Solubility

Log S (ESOL) : -3.2
Solubility : 0.131 mg/ml ; 0.000625 mol/l
Class : Soluble
Log S (Ali) : -3.24
Solubility : 0.12 mg/ml ; 0.000575 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.29
Solubility : 0.107 mg/ml ; 0.000514 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.62

Safety of [ 1160574-72-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1160574-72-0 ]

Fluorinated Building Blocks

Chemical Structure| 403-17-8

[ 403-17-8 ]

4-Chloro-3-fluorobenzoic acid

Similarity: 0.95

Chemical Structure| 150444-95-4

[ 150444-95-4 ]

3-Chloro-4,5-difluorobenzoic acid

Similarity: 0.93

Chemical Structure| 1160573-19-2

[ 1160573-19-2 ]

4-Chloro-3,5-difluorobenzoic acid

Similarity: 0.93

Chemical Structure| 403-17-8

[ 403-17-8 ]

4-Chloro-3-fluorobenzoic acid

Similarity: 0.95

Chemical Structure| 150444-95-4

[ 150444-95-4 ]

3-Chloro-4,5-difluorobenzoic acid

Similarity: 0.93

Aryls

Chemical Structure| 403-17-8

[ 403-17-8 ]

4-Chloro-3-fluorobenzoic acid

Similarity: 0.95

Chemical Structure| 150444-95-4

[ 150444-95-4 ]

3-Chloro-4,5-difluorobenzoic acid

Similarity: 0.93

Chemical Structure| 1160573-19-2

[ 1160573-19-2 ]

4-Chloro-3,5-difluorobenzoic acid

Similarity: 0.93

Chemical Structure| 403-17-8

[ 403-17-8 ]

4-Chloro-3-fluorobenzoic acid

Similarity: 0.95

Chemical Structure| 150444-95-4

[ 150444-95-4 ]

3-Chloro-4,5-difluorobenzoic acid

Similarity: 0.93

Chlorides

Chemical Structure| 403-17-8

[ 403-17-8 ]

4-Chloro-3-fluorobenzoic acid

Similarity: 0.95

Chemical Structure| 150444-95-4

[ 150444-95-4 ]

3-Chloro-4,5-difluorobenzoic acid

Similarity: 0.93

Chemical Structure| 1160573-19-2

[ 1160573-19-2 ]

4-Chloro-3,5-difluorobenzoic acid

Similarity: 0.93

Chemical Structure| 403-17-8

[ 403-17-8 ]

4-Chloro-3-fluorobenzoic acid

Similarity: 0.95

Chemical Structure| 150444-95-4

[ 150444-95-4 ]

3-Chloro-4,5-difluorobenzoic acid

Similarity: 0.93

Carboxylic Acids

Chemical Structure| 403-17-8

[ 403-17-8 ]

4-Chloro-3-fluorobenzoic acid

Similarity: 0.95

Chemical Structure| 150444-95-4

[ 150444-95-4 ]

3-Chloro-4,5-difluorobenzoic acid

Similarity: 0.93

Chemical Structure| 1160573-19-2

[ 1160573-19-2 ]

4-Chloro-3,5-difluorobenzoic acid

Similarity: 0.93

Chemical Structure| 403-17-8

[ 403-17-8 ]

4-Chloro-3-fluorobenzoic acid

Similarity: 0.95

Chemical Structure| 150444-95-4

[ 150444-95-4 ]

3-Chloro-4,5-difluorobenzoic acid

Similarity: 0.93