Home Cart 0 Sign in  
X

[ CAS No. 886368-62-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 886368-62-3
Chemical Structure| 886368-62-3
Chemical Structure| 886368-62-3
Structure of 886368-62-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 886368-62-3 ]

Related Doc. of [ 886368-62-3 ]

Alternatived Products of [ 886368-62-3 ]

Product Details of [ 886368-62-3 ]

CAS No. :886368-62-3 MDL No. :MFCD07374607
Formula : C9H10F3NO Boiling Point : -
Linear Structure Formula :- InChI Key :LMXVBSFRTBFWFN-UHFFFAOYSA-N
M.W : 205.18 Pubchem ID :46785670
Synonyms :

Calculated chemistry of [ 886368-62-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 3
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 45.61
TPSA : 35.25 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 : Yes
Log Kp (skin permeation) : -6.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.87
Log Po/w (XLOGP3) : 1.9
Log Po/w (WLOGP) : 3.19
Log Po/w (MLOGP) : 1.98
Log Po/w (SILICOS-IT) : 2.17
Consensus Log Po/w : 2.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.43
Solubility : 0.765 mg/ml ; 0.00373 mol/l
Class : Soluble
Log S (Ali) : -2.26
Solubility : 1.12 mg/ml ; 0.00546 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.11
Solubility : 0.16 mg/ml ; 0.000782 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.7

Safety of [ 886368-62-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H319 Packing Group:N/A
GHS Pictogram:
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 886368-62-3 ]

Fluorinated Building Blocks

Chemical Structure| 2222471-40-9

[ 2222471-40-9 ]

(S)-2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanamine hydrochloride

Similarity: 0.90

Chemical Structure| 1392212-91-7

[ 1392212-91-7 ]

8-(Trifluoromethyl)chroman-4-amine hydrochloride

Similarity: 0.78

Chemical Structure| 1208989-29-0

[ 1208989-29-0 ]

(R)-1-(4-(Trifluoromethoxy)phenyl)ethanamine hydrochloride

Similarity: 0.70

Chemical Structure| 1391540-47-8

[ 1391540-47-8 ]

(S)-1-(4-(Trifluoromethoxy)phenyl)ethanamine hydrochloride

Similarity: 0.70

Chemical Structure| 22038-85-3

[ 22038-85-3 ]

(R)-2,2,2-Trifluoro-1-phenylethanamine

Similarity: 0.70

Aryls

Chemical Structure| 2222471-40-9

[ 2222471-40-9 ]

(S)-2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanamine hydrochloride

Similarity: 0.90

Chemical Structure| 40023-74-3

[ 40023-74-3 ]

1-(2-Methoxyphenyl)ethanamine

Similarity: 0.77

Chemical Structure| 325686-44-0

[ 325686-44-0 ]

(S)-2-Amino-2-(2-methoxyphenyl)ethanol hydrochloride

Similarity: 0.75

Chemical Structure| 1032279-33-6

[ 1032279-33-6 ]

7-Methoxy-2,3-dihydro-1H-inden-1-amine

Similarity: 0.73

Chemical Structure| 1187160-18-4

[ 1187160-18-4 ]

7-Methoxy-2,3-dihydro-1H-inden-1-amine hydrochloride

Similarity: 0.72

Ethers

Chemical Structure| 2222471-40-9

[ 2222471-40-9 ]

(S)-2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanamine hydrochloride

Similarity: 0.90

Chemical Structure| 40023-74-3

[ 40023-74-3 ]

1-(2-Methoxyphenyl)ethanamine

Similarity: 0.77

Chemical Structure| 325686-44-0

[ 325686-44-0 ]

(S)-2-Amino-2-(2-methoxyphenyl)ethanol hydrochloride

Similarity: 0.75

Chemical Structure| 1032279-33-6

[ 1032279-33-6 ]

7-Methoxy-2,3-dihydro-1H-inden-1-amine

Similarity: 0.73

Chemical Structure| 1187160-18-4

[ 1187160-18-4 ]

7-Methoxy-2,3-dihydro-1H-inden-1-amine hydrochloride

Similarity: 0.72

Amines

Chemical Structure| 2222471-40-9

[ 2222471-40-9 ]

(S)-2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanamine hydrochloride

Similarity: 0.90

Chemical Structure| 1392212-91-7

[ 1392212-91-7 ]

8-(Trifluoromethyl)chroman-4-amine hydrochloride

Similarity: 0.78

Chemical Structure| 40023-74-3

[ 40023-74-3 ]

1-(2-Methoxyphenyl)ethanamine

Similarity: 0.77

Chemical Structure| 325686-44-0

[ 325686-44-0 ]

(S)-2-Amino-2-(2-methoxyphenyl)ethanol hydrochloride

Similarity: 0.75

Chemical Structure| 1032279-33-6

[ 1032279-33-6 ]

7-Methoxy-2,3-dihydro-1H-inden-1-amine

Similarity: 0.73

Trifluoromethyls

Chemical Structure| 2222471-40-9

[ 2222471-40-9 ]

(S)-2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanamine hydrochloride

Similarity: 0.90

Chemical Structure| 1392212-91-7

[ 1392212-91-7 ]

8-(Trifluoromethyl)chroman-4-amine hydrochloride

Similarity: 0.78

Chemical Structure| 1208989-29-0

[ 1208989-29-0 ]

(R)-1-(4-(Trifluoromethoxy)phenyl)ethanamine hydrochloride

Similarity: 0.70

Chemical Structure| 1391540-47-8

[ 1391540-47-8 ]

(S)-1-(4-(Trifluoromethoxy)phenyl)ethanamine hydrochloride

Similarity: 0.70

Chemical Structure| 22038-85-3

[ 22038-85-3 ]

(R)-2,2,2-Trifluoro-1-phenylethanamine

Similarity: 0.70