Home Cart 0 Sign in  
X

[ CAS No. 1260811-66-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1260811-66-2
Chemical Structure| 1260811-66-2
Chemical Structure| 1260811-66-2
Structure of 1260811-66-2 * 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 [ 1260811-66-2 ]

Related Doc. of [ 1260811-66-2 ]

Alternatived Products of [ 1260811-66-2 ]
Product Citations

Product Details of [ 1260811-66-2 ]

CAS No. :1260811-66-2 MDL No. :MFCD15526859
Formula : C7H5ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :FHNIOFLISORNMS-UHFFFAOYSA-N
M.W : 184.58 Pubchem ID :71742952
Synonyms :

Calculated chemistry of [ 1260811-66-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 46.07
TPSA : 51.22 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.88 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.32
Log Po/w (XLOGP3) : 0.77
Log Po/w (WLOGP) : 0.49
Log Po/w (MLOGP) : -0.06
Log Po/w (SILICOS-IT) : 1.66
Consensus Log Po/w : 0.84

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.84
Solubility : 2.67 mg/ml ; 0.0145 mol/l
Class : Very soluble
Log S (Ali) : -1.43
Solubility : 6.92 mg/ml ; 0.0375 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.87
Solubility : 0.247 mg/ml ; 0.00134 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.17

Safety of [ 1260811-66-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-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
[ 1260811-66-2 ]

Chlorides

Chemical Structure| 928118-43-8

[ 928118-43-8 ]

7-Chloro-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one

Similarity: 0.97

Chemical Structure| 1260665-77-7

[ 1260665-77-7 ]

5-Chloro-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine

Similarity: 0.87

Chemical Structure| 1378678-80-8

[ 1378678-80-8 ]

5-Chloro-2H-pyrido[4,3-b][1,4]oxazin-3(4H)-one

Similarity: 0.80

Amides

Chemical Structure| 928118-43-8

[ 928118-43-8 ]

7-Chloro-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one

Similarity: 0.97

Chemical Structure| 194022-44-1

[ 194022-44-1 ]

1H-Pyrido[3,4-b][1,4]oxazin-2(3H)-one

Similarity: 0.83

Chemical Structure| 1378678-80-8

[ 1378678-80-8 ]

5-Chloro-2H-pyrido[4,3-b][1,4]oxazin-3(4H)-one

Similarity: 0.80

Related Parent Nucleus of
[ 1260811-66-2 ]

Other Aromatic Heterocycles

Chemical Structure| 928118-43-8

[ 928118-43-8 ]

7-Chloro-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one

Similarity: 0.97

Chemical Structure| 1260665-77-7

[ 1260665-77-7 ]

5-Chloro-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine

Similarity: 0.87

Chemical Structure| 194022-44-1

[ 194022-44-1 ]

1H-Pyrido[3,4-b][1,4]oxazin-2(3H)-one

Similarity: 0.83

Chemical Structure| 1378678-80-8

[ 1378678-80-8 ]

5-Chloro-2H-pyrido[4,3-b][1,4]oxazin-3(4H)-one

Similarity: 0.80