Home Cart 0 Sign in  
X

[ CAS No. 480438-93-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 480438-93-5
Chemical Structure| 480438-93-5
Chemical Structure| 480438-93-5
Structure of 480438-93-5 * Storage: {[proInfo.prStorage]}
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 [ 480438-93-5 ]

Related Doc. of [ 480438-93-5 ]

Alternatived Products of [ 480438-93-5 ]
Product Citations

Product Details of [ 480438-93-5 ]

CAS No. :480438-93-5 MDL No. :MFCD03427276
Formula : C8H5Cl2FO Boiling Point : -
Linear Structure Formula :- InChI Key :LVVYERCKCGWONQ-UHFFFAOYSA-N
M.W : 207.03 Pubchem ID :4397444
Synonyms :

Calculated chemistry of [ 480438-93-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 46.61
TPSA : 17.07 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) : -5.46 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.12
Log Po/w (XLOGP3) : 2.96
Log Po/w (WLOGP) : 3.76
Log Po/w (MLOGP) : 3.35
Log Po/w (SILICOS-IT) : 3.86
Consensus Log Po/w : 3.21

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.29
Solubility : 0.106 mg/ml ; 0.00051 mol/l
Class : Soluble
Log S (Ali) : -2.98
Solubility : 0.216 mg/ml ; 0.00104 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.25
Solubility : 0.0116 mg/ml ; 0.0000561 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.53

Safety of [ 480438-93-5 ]

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:
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 480438-93-5 ]

Fluorinated Building Blocks

Chemical Structure| 161957-59-1

[ 161957-59-1 ]

1-(3-Chloro-2-fluorophenyl)ethanone

Similarity: 0.98

Chemical Structure| 1638980-49-0

[ 1638980-49-0 ]

1-(5-Chloro-2,4-difluorophenyl)ethanone

Similarity: 0.96

Chemical Structure| 177942-50-6

[ 177942-50-6 ]

1-(3-Chloro-2,6-difluorophenyl)ethanone

Similarity: 0.96

Chemical Structure| 655-12-9

[ 655-12-9 ]

1-(4-Chloro-2,5-difluorophenyl)ethanone

Similarity: 0.94

Chemical Structure| 1806354-87-9

[ 1806354-87-9 ]

1-(3,4-Dichloro-2-fluorophenyl)ethanone

Similarity: 0.94

Aryls

Chemical Structure| 161957-59-1

[ 161957-59-1 ]

1-(3-Chloro-2-fluorophenyl)ethanone

Similarity: 0.98

Chemical Structure| 177942-50-6

[ 177942-50-6 ]

1-(3-Chloro-2,6-difluorophenyl)ethanone

Similarity: 0.96

Chemical Structure| 1638980-49-0

[ 1638980-49-0 ]

1-(5-Chloro-2,4-difluorophenyl)ethanone

Similarity: 0.96

Chemical Structure| 655-12-9

[ 655-12-9 ]

1-(4-Chloro-2,5-difluorophenyl)ethanone

Similarity: 0.94

Chemical Structure| 1806354-87-9

[ 1806354-87-9 ]

1-(3,4-Dichloro-2-fluorophenyl)ethanone

Similarity: 0.94

Chlorides

Chemical Structure| 161957-59-1

[ 161957-59-1 ]

1-(3-Chloro-2-fluorophenyl)ethanone

Similarity: 0.98

Chemical Structure| 177942-50-6

[ 177942-50-6 ]

1-(3-Chloro-2,6-difluorophenyl)ethanone

Similarity: 0.96

Chemical Structure| 1638980-49-0

[ 1638980-49-0 ]

1-(5-Chloro-2,4-difluorophenyl)ethanone

Similarity: 0.96

Chemical Structure| 655-12-9

[ 655-12-9 ]

1-(4-Chloro-2,5-difluorophenyl)ethanone

Similarity: 0.94

Chemical Structure| 1806354-87-9

[ 1806354-87-9 ]

1-(3,4-Dichloro-2-fluorophenyl)ethanone

Similarity: 0.94

Ketones

Chemical Structure| 161957-59-1

[ 161957-59-1 ]

1-(3-Chloro-2-fluorophenyl)ethanone

Similarity: 0.98

Chemical Structure| 177942-50-6

[ 177942-50-6 ]

1-(3-Chloro-2,6-difluorophenyl)ethanone

Similarity: 0.96

Chemical Structure| 1638980-49-0

[ 1638980-49-0 ]

1-(5-Chloro-2,4-difluorophenyl)ethanone

Similarity: 0.96

Chemical Structure| 655-12-9

[ 655-12-9 ]

1-(4-Chloro-2,5-difluorophenyl)ethanone

Similarity: 0.94

Chemical Structure| 1806354-87-9

[ 1806354-87-9 ]

1-(3,4-Dichloro-2-fluorophenyl)ethanone

Similarity: 0.94