Home Cart 0 Sign in  
X

[ CAS No. 5660-24-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 5660-24-2
Chemical Structure| 5660-24-2
Chemical Structure| 5660-24-2
Structure of 5660-24-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 5660-24-2 ]

Related Doc. of [ 5660-24-2 ]

Alternatived Products of [ 5660-24-2 ]

Product Details of [ 5660-24-2 ]

CAS No. :5660-24-2 MDL No. :MFCD00518775
Formula : C10H9NO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 159.18 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 5660-24-2 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.1
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 49.53
TPSA : 32.86 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) : -5.9 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.76
Log Po/w (XLOGP3) : 1.93
Log Po/w (WLOGP) : 1.84
Log Po/w (MLOGP) : 1.14
Log Po/w (SILICOS-IT) : 3.07
Consensus Log Po/w : 1.95

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.66
Solubility : 0.349 mg/ml ; 0.00219 mol/l
Class : Soluble
Log S (Ali) : -2.24
Solubility : 0.908 mg/ml ; 0.0057 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.98
Solubility : 0.0166 mg/ml ; 0.000104 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.38

Safety of [ 5660-24-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 5660-24-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 5660-24-2 ]
  • Downstream synthetic route of [ 5660-24-2 ]

[ 5660-24-2 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 5660-24-2 ]
  • [ 4295-06-1 ]
Reference: [1] Chemische Berichte, 1887, vol. 20, p. 950[2] Chemische Berichte, 1888, vol. 21, p. 1971
[3] Journal fuer Praktische Chemie (Leipzig), 1925, vol. <2> 109, p. 67
  • 2
  • [ 5660-24-2 ]
  • [ 34497-54-6 ]
Reference: [1] Journal of Chemical Research, Miniprint, 1995, # 5, p. 1051 - 1063
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 5660-24-2 ]

Alcohols

Chemical Structure| 611-36-9

[ 611-36-9 ]

4-Hydroxyquinoline

Similarity: 0.94

Chemical Structure| 103030-28-0

[ 103030-28-0 ]

6-Bromo-2-methylquinolin-4-ol

Similarity: 0.89

Chemical Structure| 23432-39-5

[ 23432-39-5 ]

6-Methoxyquinolin-4-ol

Similarity: 0.87

Chemical Structure| 116529-84-1

[ 116529-84-1 ]

6-Methylquinolin-5-ol

Similarity: 0.86

Chemical Structure| 580-20-1

[ 580-20-1 ]

Quinolin-7-ol

Similarity: 0.84

Related Parent Nucleus of
[ 5660-24-2 ]

Quinolines

Chemical Structure| 611-36-9

[ 611-36-9 ]

4-Hydroxyquinoline

Similarity: 0.94

Chemical Structure| 103030-28-0

[ 103030-28-0 ]

6-Bromo-2-methylquinolin-4-ol

Similarity: 0.89

Chemical Structure| 23432-39-5

[ 23432-39-5 ]

6-Methoxyquinolin-4-ol

Similarity: 0.87

Chemical Structure| 116529-84-1

[ 116529-84-1 ]

6-Methylquinolin-5-ol

Similarity: 0.86

Chemical Structure| 19490-87-0

[ 19490-87-0 ]

7-Methoxy-2-methylquinoline

Similarity: 0.85