Home Cart 0 Sign in  
X

[ CAS No. 3132-92-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 3132-92-1
Chemical Structure| 3132-92-1
Chemical Structure| 3132-92-1
Structure of 3132-92-1 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 3132-92-1 ]

Related Doc. of [ 3132-92-1 ]

Alternatived Products of [ 3132-92-1 ]
Product Citations

Product Details of [ 3132-92-1 ]

CAS No. :3132-92-1 MDL No. :MFCD00077540
Formula : C10H7FO Boiling Point : -
Linear Structure Formula :- InChI Key :BFANNCFXNHKKTC-UHFFFAOYSA-N
M.W : 162.16 Pubchem ID :21505311
Synonyms :

Calculated chemistry of [ 3132-92-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 45.93
TPSA : 20.23 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) : -5.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.78
Log Po/w (XLOGP3) : 2.4
Log Po/w (WLOGP) : 3.1
Log Po/w (MLOGP) : 2.96
Log Po/w (SILICOS-IT) : 2.91
Consensus Log Po/w : 2.63

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.97
Solubility : 0.172 mg/ml ; 0.00106 mol/l
Class : Soluble
Log S (Ali) : -2.47
Solubility : 0.554 mg/ml ; 0.00342 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.77
Solubility : 0.0278 mg/ml ; 0.000171 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.07

Safety of [ 3132-92-1 ]

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 [ 3132-92-1 ]

* 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 [ 3132-92-1 ]
  • Downstream synthetic route of [ 3132-92-1 ]

[ 3132-92-1 ] Synthesis Path-Upstream   1~10

  • 1
  • [ 2840-44-0 ]
  • [ 3132-92-1 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1965, p. 1308 - 1315
[2] Journal of the American Chemical Society, 1967, vol. 89, p. 386 - 390
  • 2
  • [ 462-06-6 ]
  • [ 3132-92-1 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1965, p. 1308 - 1315
[2] Journal of the American Chemical Society, 1967, vol. 89, p. 386 - 390
  • 3
  • [ 589-06-0 ]
  • [ 3132-92-1 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1965, p. 1308 - 1315
[2] Journal of the American Chemical Society, 1967, vol. 89, p. 386 - 390
  • 4
  • [ 366-77-8 ]
  • [ 3132-92-1 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1965, p. 1308 - 1315
[2] Journal of the American Chemical Society, 1967, vol. 89, p. 386 - 390
  • 5
  • [ 133188-66-6 ]
  • [ 3132-92-1 ]
Reference: [1] Journal of the American Chemical Society, 1967, vol. 89, p. 386 - 390
  • 6
  • [ 173276-82-9 ]
  • [ 3132-92-1 ]
Reference: [1] Tetrahedron Letters, 2007, vol. 48, # 31, p. 5539 - 5541
  • 7
  • [ 348-57-2 ]
  • [ 3132-92-1 ]
Reference: [1] Tetrahedron Letters, 2007, vol. 48, # 31, p. 5539 - 5541
  • 8
  • [ 582-83-2 ]
  • [ 3132-92-1 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1965, p. 1308 - 1315
  • 9
  • [ 3200-99-5 ]
  • [ 3132-92-1 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1965, p. 1308 - 1315
  • 10
  • [ 1123760-74-6 ]
  • [ 3132-92-1 ]
Reference: [1] Journal of Organic Chemistry, 2011, vol. 76, # 22, p. 9338 - 9343
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 3132-92-1 ]

Fluorinated Building Blocks

Chemical Structure| 13101-83-2

[ 13101-83-2 ]

6-Fluoronaphthalen-2-ol

Similarity: 0.95

Chemical Structure| 216976-31-7

[ 216976-31-7 ]

3-Fluoro-5-methylphenol

Similarity: 0.84

Chemical Structure| 452-85-7

[ 452-85-7 ]

5-Fluoro-2-methylphenol

Similarity: 0.84

Chemical Structure| 160911-11-5

[ 160911-11-5 ]

1-Fluoro-3-methoxy-5-methylbenzene

Similarity: 0.80

Chemical Structure| 452-81-3

[ 452-81-3 ]

2-Fluoro-4-methylphenol

Similarity: 0.80

Aryls

Chemical Structure| 13101-83-2

[ 13101-83-2 ]

6-Fluoronaphthalen-2-ol

Similarity: 0.95

Chemical Structure| 216976-31-7

[ 216976-31-7 ]

3-Fluoro-5-methylphenol

Similarity: 0.84

Chemical Structure| 452-85-7

[ 452-85-7 ]

5-Fluoro-2-methylphenol

Similarity: 0.84

Chemical Structure| 160911-11-5

[ 160911-11-5 ]

1-Fluoro-3-methoxy-5-methylbenzene

Similarity: 0.80

Chemical Structure| 452-81-3

[ 452-81-3 ]

2-Fluoro-4-methylphenol

Similarity: 0.80