Home Cart 0 Sign in  
X

[ CAS No. 310466-38-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 310466-38-7
Chemical Structure| 310466-38-7
Chemical Structure| 310466-38-7
Structure of 310466-38-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 310466-38-7 ]

Related Doc. of [ 310466-38-7 ]

Alternatived Products of [ 310466-38-7 ]

Product Details of [ 310466-38-7 ]

CAS No. :310466-38-7 MDL No. :MFCD16657500
Formula : C8H5FS Boiling Point : -
Linear Structure Formula :- InChI Key :AOIWFWNSLJDPSZ-UHFFFAOYSA-N
M.W : 152.19 Pubchem ID :19088017
Synonyms :

Calculated chemistry of [ 310466-38-7 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.78
TPSA : 28.24 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) : -5.07 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.15
Log Po/w (XLOGP3) : 3.04
Log Po/w (WLOGP) : 3.46
Log Po/w (MLOGP) : 3.07
Log Po/w (SILICOS-IT) : 4.11
Consensus Log Po/w : 3.17

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.36
Solubility : 0.0657 mg/ml ; 0.000432 mol/l
Class : Soluble
Log S (Ali) : -3.3
Solubility : 0.0765 mg/ml ; 0.000503 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.6
Solubility : 0.0379 mg/ml ; 0.000249 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.03

Safety of [ 310466-38-7 ]

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:

Application In Synthesis of [ 310466-38-7 ]

* 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 [ 310466-38-7 ]
  • Downstream synthetic route of [ 310466-38-7 ]

[ 310466-38-7 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 501944-64-5 ]
  • [ 205055-10-3 ]
  • [ 310466-38-7 ]
Reference: [1] Patent: US2004/6229, 2004, A1, . Location in patent: Page/Page column 47
  • 2
  • [ 310466-37-6 ]
  • [ 310466-38-7 ]
Reference: [1] Tetrahedron Letters, 2004, vol. 45, # 52, p. 9645 - 9647
[2] Bioorganic and medicinal chemistry, 2004, vol. 12, # 9, p. 2251 - 2273
[3] Dyes and Pigments, 2014, vol. 100, # 1, p. 57 - 65
  • 3
  • [ 501944-64-5 ]
  • [ 205055-10-3 ]
  • [ 310466-38-7 ]
Reference: [1] Patent: US2004/6229, 2004, A1, . Location in patent: Page/Page column 47
  • 4
  • [ 96-45-7 ]
  • [ 360575-20-8 ]
  • [ 360575-21-9 ]
  • [ 310466-38-7 ]
Reference: [1] Patent: US2003/166628, 2003, A1,
  • 5
  • [ 437-81-0 ]
  • [ 310466-38-7 ]
Reference: [1] Bioorganic and medicinal chemistry, 2004, vol. 12, # 9, p. 2251 - 2273
[2] Dyes and Pigments, 2014, vol. 100, # 1, p. 57 - 65
  • 6
  • [ 220180-55-2 ]
  • [ 310466-38-7 ]
Reference: [1] Dyes and Pigments, 2014, vol. 100, # 1, p. 57 - 65
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 310466-38-7 ]

Fluorinated Building Blocks

Chemical Structure| 58861-48-6

[ 58861-48-6 ]

2-(4-Fluorophenyl)thiophene

Similarity: 0.91

Chemical Structure| 346592-74-3

[ 346592-74-3 ]

7-Fluorobenzo[b]thiophene

Similarity: 0.88

Chemical Structure| 1030825-20-7

[ 1030825-20-7 ]

2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

Similarity: 0.71

Chemical Structure| 898566-17-1

[ 898566-17-1 ]

2-(4-Fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene

Similarity: 0.71

Chemical Structure| 1034305-17-3

[ 1034305-17-3 ]

2-(5-Bromo-2-fluorobenzyl)benzo[b]thiophene

Similarity: 0.70

Related Parent Nucleus of
[ 310466-38-7 ]

Benzothiophenes

Chemical Structure| 346592-74-3

[ 346592-74-3 ]

7-Fluorobenzo[b]thiophene

Similarity: 0.88

Chemical Structure| 16587-47-6

[ 16587-47-6 ]

6-Methylbenzo[b]thiophene

Similarity: 0.79

Chemical Structure| 6179-28-8

[ 6179-28-8 ]

Benzo[b]thiophen-6-ylmethanol

Similarity: 0.71

Chemical Structure| 1034305-17-3

[ 1034305-17-3 ]

2-(5-Bromo-2-fluorobenzyl)benzo[b]thiophene

Similarity: 0.70

Chemical Structure| 6386-80-7

[ 6386-80-7 ]

Benzo[b]thiophene-6-carbaldehyde

Similarity: 0.69