Home Cart 0 Sign in  

[ CAS No. 87199-83-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 87199-83-5
Chemical Structure| 87199-83-5
Structure of 87199-83-5 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

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 [ 87199-83-5 ]

Related Doc. of [ 87199-83-5 ]

Alternatived Products of [ 87199-83-5 ]
Product Citations

Product Details of [ 87199-83-5 ]

CAS No. :87199-83-5 MDL No. :MFCD01246355
Formula : C10H10N2O Boiling Point : -
Linear Structure Formula :- InChI Key :HKLSFALZGDMVDE-UHFFFAOYSA-N
M.W : 174.20 Pubchem ID :3937872
Synonyms :

Calculated chemistry of [ 87199-83-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.1
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 52.64
TPSA : 48.14 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) : -6.16 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.62
Log Po/w (XLOGP3) : 1.69
Log Po/w (WLOGP) : 1.83
Log Po/w (MLOGP) : 0.88
Log Po/w (SILICOS-IT) : 1.7
Consensus Log Po/w : 1.54

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.49
Solubility : 0.566 mg/ml ; 0.00325 mol/l
Class : Soluble
Log S (Ali) : -2.32
Solubility : 0.842 mg/ml ; 0.00483 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.46
Solubility : 0.0597 mg/ml ; 0.000343 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.44

Safety of [ 87199-83-5 ]

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

Technical Information

Historical Records

Related Functional Groups of
[ 87199-83-5 ]

Ethers

Chemical Structure| 52057-98-4

[ 52057-98-4 ]

6-(4-Methoxyphenyl)pyridin-3-amine

Similarity: 0.95

Chemical Structure| 4964-76-5

[ 4964-76-5 ]

7-Methoxyquinoline

Similarity: 0.94

Chemical Structure| 6238-12-6

[ 6238-12-6 ]

7-Methoxy-4-methylquinoline

Similarity: 0.91

Chemical Structure| 90-52-8

[ 90-52-8 ]

8-Amino-6-methoxyquinoline

Similarity: 0.90

Chemical Structure| 19490-87-0

[ 19490-87-0 ]

7-Methoxy-2-methylquinoline

Similarity: 0.89

Amines

Chemical Structure| 52057-98-4

[ 52057-98-4 ]

6-(4-Methoxyphenyl)pyridin-3-amine

Similarity: 0.95

Chemical Structure| 90-52-8

[ 90-52-8 ]

8-Amino-6-methoxyquinoline

Similarity: 0.90

Chemical Structure| 1261810-14-3

[ 1261810-14-3 ]

7-Aminoquinolin-3-ol

Similarity: 0.82

Chemical Structure| 190728-25-7

[ 190728-25-7 ]

4-((6,7-Dimethoxyquinolin-4-yl)oxy)aniline

Similarity: 0.81

Chemical Structure| 70125-16-5

[ 70125-16-5 ]

2-Amino-8-quinolinol

Similarity: 0.77

Related Parent Nucleus of
[ 87199-83-5 ]

Quinolines

Chemical Structure| 4964-76-5

[ 4964-76-5 ]

7-Methoxyquinoline

Similarity: 0.94

Chemical Structure| 6238-12-6

[ 6238-12-6 ]

7-Methoxy-4-methylquinoline

Similarity: 0.91

Chemical Structure| 90-52-8

[ 90-52-8 ]

8-Amino-6-methoxyquinoline

Similarity: 0.90

Chemical Structure| 1807542-80-8

[ 1807542-80-8 ]

7-Methoxy-4-methylquinoline hydrochloride

Similarity: 0.89

Chemical Structure| 19490-87-0

[ 19490-87-0 ]

7-Methoxy-2-methylquinoline

Similarity: 0.89

; ;