Home Cart 0 Sign in  

[ CAS No. 16635-94-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 16635-94-2
Chemical Structure| 16635-94-2
Structure of 16635-94-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 16635-94-2 ]

Related Doc. of [ 16635-94-2 ]

Alternatived Products of [ 16635-94-2 ]

Product Details of [ 16635-94-2 ]

CAS No. :16635-94-2 MDL No. :MFCD01726798
Formula : C8H14Cl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZVHIGOVJILOQNV-UHFFFAOYSA-N
M.W : 209.12 Pubchem ID :12698224
Synonyms :

Calculated chemistry of [ 16635-94-2 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 55.56
TPSA : 52.04 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) : -6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.48
Log Po/w (WLOGP) : 1.92
Log Po/w (MLOGP) : 1.56
Log Po/w (SILICOS-IT) : 0.74
Consensus Log Po/w : 1.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.31
Solubility : 1.03 mg/ml ; 0.00493 mol/l
Class : Soluble
Log S (Ali) : -2.18
Solubility : 1.38 mg/ml ; 0.00661 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.1
Solubility : 1.66 mg/ml ; 0.00793 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.3

Safety of [ 16635-94-2 ]

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:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 16635-94-2 ]

Aryls

Chemical Structure| 856562-93-1

[ 856562-93-1 ]

(R)-1-(o-Tolyl)propan-1-amine hydrochloride

Similarity: 0.91

Chemical Structure| 1032114-81-0

[ 1032114-81-0 ]

(S)-1-(2,4-Dimethylphenyl)propan-1-amine hydrochloride

Similarity: 0.91

Chemical Structure| 856562-88-4

[ 856562-88-4 ]

(R)-1-(o-Tolyl)ethanamine hydrochloride

Similarity: 0.91

Chemical Structure| 1269437-72-0

[ 1269437-72-0 ]

(S)-1-(2,6-Dimethylphenyl)ethanamine hydrochloride

Similarity: 0.91

Chemical Structure| 1269437-70-8

[ 1269437-70-8 ]

(R)-1-(2,6-Dimethylphenyl)ethanamine hydrochloride

Similarity: 0.91

Amines

Chemical Structure| 856562-93-1

[ 856562-93-1 ]

(R)-1-(o-Tolyl)propan-1-amine hydrochloride

Similarity: 0.91

Chemical Structure| 1032114-81-0

[ 1032114-81-0 ]

(S)-1-(2,4-Dimethylphenyl)propan-1-amine hydrochloride

Similarity: 0.91

Chemical Structure| 856562-88-4

[ 856562-88-4 ]

(R)-1-(o-Tolyl)ethanamine hydrochloride

Similarity: 0.91

Chemical Structure| 1269437-72-0

[ 1269437-72-0 ]

(S)-1-(2,6-Dimethylphenyl)ethanamine hydrochloride

Similarity: 0.91

Chemical Structure| 1269437-70-8

[ 1269437-70-8 ]

(R)-1-(2,6-Dimethylphenyl)ethanamine hydrochloride

Similarity: 0.91