Home Cart 0 Sign in  
X

[ CAS No. 3278-88-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 3278-88-4
Chemical Structure| 3278-88-4
Chemical Structure| 3278-88-4
Structure of 3278-88-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 3278-88-4 ]

Related Doc. of [ 3278-88-4 ]

Alternatived Products of [ 3278-88-4 ]

Product Details of [ 3278-88-4 ]

CAS No. :3278-88-4 MDL No. :MFCD00052984
Formula : C7H5Br3 Boiling Point : -
Linear Structure Formula :- InChI Key :KZZJNNUPNNBCCH-UHFFFAOYSA-N
M.W : 328.83 Pubchem ID :137875
Synonyms :

Calculated chemistry of [ 3278-88-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 54.51
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.21 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.82
Log Po/w (XLOGP3) : 4.36
Log Po/w (WLOGP) : 4.28
Log Po/w (MLOGP) : 4.8
Log Po/w (SILICOS-IT) : 4.32
Consensus Log Po/w : 4.12

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.07
Solubility : 0.0028 mg/ml ; 0.00000852 mol/l
Class : Moderately soluble
Log S (Ali) : -4.08
Solubility : 0.0276 mg/ml ; 0.000084 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.32
Solubility : 0.00159 mg/ml ; 0.00000484 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.82

Safety of [ 3278-88-4 ]

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 [ 3278-88-4 ]

* 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.

  • Downstream synthetic route of [ 3278-88-4 ]

[ 3278-88-4 ] Synthesis Path-Downstream   1~19

  • 1
  • [ 615-59-8 ]
  • [ 3278-88-4 ]
  • 2
  • [ 106-38-7 ]
  • [ 3278-88-4 ]
YieldReaction ConditionsOperation in experiment
durch Bromierung;
  • 3
  • [ 60956-23-2 ]
  • [ 3278-88-4 ]
  • 4
  • [ 31543-75-6 ]
  • [ 3278-88-4 ]
  • 5
  • [ 3278-88-4 ]
  • [ 87976-23-6 ]
YieldReaction ConditionsOperation in experiment
With nitric acid im Einschlussrohr;
  • 6
  • [ 3278-88-4 ]
  • 2,4,5-tribromo-3-nitro-toluene [ No CAS ]
YieldReaction ConditionsOperation in experiment
With nitric acid
  • 7
  • [ 3278-88-4 ]
  • 2,4,5-tribromo-3,6-dinitro-toluene [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; nitric acid
  • 8
  • [ 67643-51-0 ]
  • [ 3278-88-4 ]
YieldReaction ConditionsOperation in experiment
Diazotization.Zersetzung des Diazoniumperbromids mit Eisessig;
  • 9
  • [ 140373-62-2 ]
  • [ 3278-88-4 ]
  • 10
  • [ 102170-00-3 ]
  • [ 3278-88-4 ]
YieldReaction ConditionsOperation in experiment
Diazotierung und Zersetzung des Diazoniumperbromids mit Eisessig.Diazotization;
  • 12
  • [ 108-88-3 ]
  • [ 87-83-2 ]
  • [ 3278-88-4 ]
  • [ 101421-20-9 ]
YieldReaction ConditionsOperation in experiment
90% With bromine; Nitrogen dioxide In water; trifluoroacetic acid at 20℃; for 0.1h; other time;
  • 13
  • [ 7732-18-5 ]
  • [ 7726-95-6 ]
  • [ 104-15-4 ]
  • [ 3278-88-4 ]
  • 16
  • [ 106-38-7 ]
  • amalgamated aluminium [ No CAS ]
  • [ 60956-23-2 ]
  • [ 31543-75-6 ]
  • [ 3278-88-4 ]
  • 17
  • [ 56-23-5 ]
  • [ 615-59-8 ]
  • [ 7726-95-6 ]
  • amalgamated aluminium [ No CAS ]
  • [ 3278-88-4 ]
  • [ 116779-85-2 ]
  • 18
  • [ 56-23-5 ]
  • [ 31543-75-6 ]
  • [ 7726-95-6 ]
  • amalgamated aluminium [ No CAS ]
  • [ 3278-88-4 ]
  • [ 6320-40-7 ]
  • 19
  • [ 56-23-5 ]
  • [ 60956-23-2 ]
  • [ 7726-95-6 ]
  • amalgamated aluminium [ No CAS ]
  • [ 3278-88-4 ]
  • [ 73557-59-2 ]
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 3278-88-4 ]

Aryls

Chemical Structure| 60956-23-2

[ 60956-23-2 ]

1,2-Dibromo-4-methylbenzene

Similarity: 0.93

Chemical Structure| 1611-92-3

[ 1611-92-3 ]

3,5-Dibromotoluene

Similarity: 0.90

Chemical Structure| 556-96-7

[ 556-96-7 ]

1-Bromo-3,5-dimethylbenzene

Similarity: 0.87

Chemical Structure| 23488-38-2

[ 23488-38-2 ]

1,2,4,5-Tetrabromo-3,6-dimethylbenzene

Similarity: 0.86

Chemical Structure| 64382-93-0

[ 64382-93-0 ]

1,2-Dibromo-4-(bromomethyl)benzene

Similarity: 0.85

Bromides

Chemical Structure| 60956-23-2

[ 60956-23-2 ]

1,2-Dibromo-4-methylbenzene

Similarity: 0.93

Chemical Structure| 1611-92-3

[ 1611-92-3 ]

3,5-Dibromotoluene

Similarity: 0.90

Chemical Structure| 556-96-7

[ 556-96-7 ]

1-Bromo-3,5-dimethylbenzene

Similarity: 0.87

Chemical Structure| 23488-38-2

[ 23488-38-2 ]

1,2,4,5-Tetrabromo-3,6-dimethylbenzene

Similarity: 0.86

Chemical Structure| 64382-93-0

[ 64382-93-0 ]

1,2-Dibromo-4-(bromomethyl)benzene

Similarity: 0.85