Home Cart 0 Sign in  
X

[ CAS No. 2102411-05-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 2102411-05-0
Chemical Structure| 2102411-05-0
Chemical Structure| 2102411-05-0
Structure of 2102411-05-0 * 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 [ 2102411-05-0 ]

Related Doc. of [ 2102411-05-0 ]

Alternatived Products of [ 2102411-05-0 ]
Product Citations

Product Details of [ 2102411-05-0 ]

CAS No. :2102411-05-0 MDL No. :MFCD31556078
Formula : C10H5ClN2 Boiling Point : -
Linear Structure Formula :- InChI Key :VKDJXCCKDOGUBC-UHFFFAOYSA-N
M.W : 188.61 Pubchem ID :134129725
Synonyms :

Calculated chemistry of [ 2102411-05-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 51.47
TPSA : 36.68 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) : -5.65 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.9
Log Po/w (XLOGP3) : 2.54
Log Po/w (WLOGP) : 2.76
Log Po/w (MLOGP) : 1.7
Log Po/w (SILICOS-IT) : 3.04
Consensus Log Po/w : 2.39

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.18
Solubility : 0.125 mg/ml ; 0.000662 mol/l
Class : Soluble
Log S (Ali) : -2.96
Solubility : 0.208 mg/ml ; 0.0011 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.4
Solubility : 0.00744 mg/ml ; 0.0000394 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.57

Safety of [ 2102411-05-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-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 Parent Nucleus of
[ 2102411-05-0 ]

Quinolines

Chemical Structure| 122868-36-4

[ 122868-36-4 ]

5-Chloroquinoline-8-carbonitrile

Similarity: 0.98

Chemical Structure| 132664-45-0

[ 132664-45-0 ]

4-Chloroquinoline-8-carbonitrile

Similarity: 0.98

Chemical Structure| 1431869-27-0

[ 1431869-27-0 ]

7-Chloroquinoline-3-carbonitrile

Similarity: 0.98

Chemical Structure| 13669-66-4

[ 13669-66-4 ]

6-Chloroquinoline-3-carbonitrile

Similarity: 0.95

Chemical Structure| 1334405-50-3

[ 1334405-50-3 ]

4-Chloro-3-methylquinoline-8-carbonitrile

Similarity: 0.91