Home Cart 0 Sign in  

[ CAS No. 32864-29-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 32864-29-2
Chemical Structure| 32864-29-2
Structure of 32864-29-2 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 32864-29-2 ]

Related Doc. of [ 32864-29-2 ]

Alternatived Products of [ 32864-29-2 ]
Product Citations

Product Details of [ 32864-29-2 ]

CAS No. :32864-29-2 MDL No. :MFCD04114131
Formula : C11H8BrN Boiling Point : -
Linear Structure Formula :- InChI Key :BCKWPWFSMVGPRC-UHFFFAOYSA-N
M.W : 234.09 Pubchem ID :2762805
Synonyms :

Calculated chemistry of [ 32864-29-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 57.37
TPSA : 12.89 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.31
Log Po/w (XLOGP3) : 3.5
Log Po/w (WLOGP) : 3.51
Log Po/w (MLOGP) : 2.82
Log Po/w (SILICOS-IT) : 3.7
Consensus Log Po/w : 3.17

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.11
Solubility : 0.018 mg/ml ; 0.000077 mol/l
Class : Moderately soluble
Log S (Ali) : -3.45
Solubility : 0.0823 mg/ml ; 0.000352 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.4
Solubility : 0.00093 mg/ml ; 0.00000397 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.18

Safety of [ 32864-29-2 ]

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 [ 32864-29-2 ]

* 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.

  • Downstream synthetic route of [ 32864-29-2 ]

[ 32864-29-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 109-04-6 ]
  • [ 591-50-4 ]
  • [ 54151-74-5 ]
  • [ 32864-29-2 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 32864-29-2 ]

Aryls

Chemical Structure| 54151-74-5

[ 54151-74-5 ]

2-Bromo-4-phenylpyridine

Similarity: 0.82

Chemical Structure| 107351-82-6

[ 107351-82-6 ]

2-Bromo-5-phenylpyridine

Similarity: 0.80

Chemical Structure| 129013-83-8

[ 129013-83-8 ]

3-(4-Bromophenyl)pyridine

Similarity: 0.75

Chemical Structure| 19352-29-5

[ 19352-29-5 ]

4-Methyl-3-phenylpyridine

Similarity: 0.72

Chemical Structure| 27012-25-5

[ 27012-25-5 ]

5-Bromo-2-phenylpyridine

Similarity: 0.72

Bromides

Chemical Structure| 1532-71-4

[ 1532-71-4 ]

1-Bromoisoquinoline

Similarity: 0.94

Chemical Structure| 1542564-70-4

[ 1542564-70-4 ]

1-Bromo-4-methylisoquinoline

Similarity: 0.92

Chemical Structure| 1417518-11-6

[ 1417518-11-6 ]

2-Bromo-3-isopropylpyridine

Similarity: 0.83

Chemical Structure| 51206-40-7

[ 51206-40-7 ]

1,4-Dibromoisoquinoline

Similarity: 0.82

Chemical Structure| 54151-74-5

[ 54151-74-5 ]

2-Bromo-4-phenylpyridine

Similarity: 0.82

Related Parent Nucleus of
[ 32864-29-2 ]

Pyridines

Chemical Structure| 1417518-11-6

[ 1417518-11-6 ]

2-Bromo-3-isopropylpyridine

Similarity: 0.83

Chemical Structure| 92992-85-3

[ 92992-85-3 ]

2-Bromo-3,5-dimethylpyridine

Similarity: 0.82

Chemical Structure| 54151-74-5

[ 54151-74-5 ]

2-Bromo-4-phenylpyridine

Similarity: 0.82

Chemical Structure| 1256788-23-4

[ 1256788-23-4 ]

2-Bromo-3-cyclopropylpyridine

Similarity: 0.81

Chemical Structure| 107351-82-6

[ 107351-82-6 ]

2-Bromo-5-phenylpyridine

Similarity: 0.80

; ;