Home Cart 0 Sign in  
X

[ CAS No. 156150-67-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 156150-67-3
Chemical Structure| 156150-67-3
Chemical Structure| 156150-67-3
Structure of 156150-67-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 156150-67-3 ]

Related Doc. of [ 156150-67-3 ]

Alternatived Products of [ 156150-67-3 ]

Product Details of [ 156150-67-3 ]

CAS No. :156150-67-3 MDL No. :MFCD00042210
Formula : C6H3ClFI Boiling Point : -
Linear Structure Formula :- InChI Key :OMASDGWBVAVFQZ-UHFFFAOYSA-N
M.W : 256.44 Pubchem ID :2724605
Synonyms :

Calculated chemistry of [ 156150-67-3 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.13
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
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) : -5.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.24
Log Po/w (XLOGP3) : 3.3
Log Po/w (WLOGP) : 3.5
Log Po/w (MLOGP) : 4.22
Log Po/w (SILICOS-IT) : 3.89
Consensus Log Po/w : 3.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.0
Solubility : 0.0255 mg/ml ; 0.0000995 mol/l
Class : Moderately soluble
Log S (Ali) : -2.98
Solubility : 0.271 mg/ml ; 0.00106 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.25
Solubility : 0.0146 mg/ml ; 0.0000568 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.27

Safety of [ 156150-67-3 ]

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 [ 156150-67-3 ]

* 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 [ 156150-67-3 ]
  • Downstream synthetic route of [ 156150-67-3 ]

[ 156150-67-3 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 367-21-5 ]
  • [ 156150-67-3 ]
Reference: [1] Chemistry - A European Journal, 2018, vol. 24, # 55, p. 14622 - 14626
[2] Journal of the American Chemical Society, 1971, vol. 93, # 5, p. 1190 - 1198
  • 2
  • [ 350-30-1 ]
  • [ 156150-67-3 ]
Reference: [1] Journal of the American Chemical Society, 1971, vol. 93, # 5, p. 1190 - 1198
  • 3
  • [ 350-46-9 ]
  • [ 156150-67-3 ]
Reference: [1] Journal of the American Chemical Society, 1971, vol. 93, # 5, p. 1190 - 1198
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 156150-67-3 ]

Fluorinated Building Blocks

Chemical Structure| 72373-82-1

[ 72373-82-1 ]

1-Chloro-2-fluoro-3-iodobenzene

Similarity: 0.91

Chemical Structure| 133307-08-1

[ 133307-08-1 ]

1,3-Dichloro-2-fluoro-5-iodobenzene

Similarity: 0.90

Chemical Structure| 202982-67-0

[ 202982-67-0 ]

4-Chloro-3-fluoroiodobenzene

Similarity: 0.87

Chemical Structure| 101335-11-9

[ 101335-11-9 ]

2-Chloro-4-fluoro-1-iodobenzene

Similarity: 0.87

Chemical Structure| 6797-79-1

[ 6797-79-1 ]

4-Chloro-2-fluoroiodobenzene

Similarity: 0.87

Aryls

Chemical Structure| 72373-82-1

[ 72373-82-1 ]

1-Chloro-2-fluoro-3-iodobenzene

Similarity: 0.91

Chemical Structure| 133307-08-1

[ 133307-08-1 ]

1,3-Dichloro-2-fluoro-5-iodobenzene

Similarity: 0.90

Chemical Structure| 202982-67-0

[ 202982-67-0 ]

4-Chloro-3-fluoroiodobenzene

Similarity: 0.87

Chemical Structure| 101335-11-9

[ 101335-11-9 ]

2-Chloro-4-fluoro-1-iodobenzene

Similarity: 0.87

Chemical Structure| 6797-79-1

[ 6797-79-1 ]

4-Chloro-2-fluoroiodobenzene

Similarity: 0.87

Chlorides

Chemical Structure| 72373-82-1

[ 72373-82-1 ]

1-Chloro-2-fluoro-3-iodobenzene

Similarity: 0.91

Chemical Structure| 133307-08-1

[ 133307-08-1 ]

1,3-Dichloro-2-fluoro-5-iodobenzene

Similarity: 0.90

Chemical Structure| 202982-67-0

[ 202982-67-0 ]

4-Chloro-3-fluoroiodobenzene

Similarity: 0.87

Chemical Structure| 101335-11-9

[ 101335-11-9 ]

2-Chloro-4-fluoro-1-iodobenzene

Similarity: 0.87

Chemical Structure| 6797-79-1

[ 6797-79-1 ]

4-Chloro-2-fluoroiodobenzene

Similarity: 0.87