Home Cart 0 Sign in  
X

[ CAS No. 51047-52-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 51047-52-0
Chemical Structure| 51047-52-0
Chemical Structure| 51047-52-0
Structure of 51047-52-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 51047-52-0 ]

Related Doc. of [ 51047-52-0 ]

Alternatived Products of [ 51047-52-0 ]

Product Details of [ 51047-52-0 ]

CAS No. :51047-52-0 MDL No. :MFCD10697319
Formula : C8H12N4 Boiling Point : -
Linear Structure Formula :- InChI Key :CBQYFXRCWSZCQW-UHFFFAOYSA-N
M.W : 164.21 Pubchem ID :18321137
Synonyms :

Calculated chemistry of [ 51047-52-0 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 53.39
TPSA : 41.05 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.3 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.57
Log Po/w (XLOGP3) : 0.0
Log Po/w (WLOGP) : -0.88
Log Po/w (MLOGP) : -0.1
Log Po/w (SILICOS-IT) : 0.67
Consensus Log Po/w : 0.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.16
Solubility : 11.3 mg/ml ; 0.0689 mol/l
Class : Very soluble
Log S (Ali) : -0.41
Solubility : 63.4 mg/ml ; 0.386 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.14
Solubility : 1.19 mg/ml ; 0.00724 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 51047-52-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3259
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 51047-52-0 ]

* 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 [ 51047-52-0 ]
  • Downstream synthetic route of [ 51047-52-0 ]

[ 51047-52-0 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 7440-44-0 ]
  • [ 51047-52-0 ]
Reference: [1] Patent: US6093718, 2000, A,
  • 2
  • [ 205060-94-2 ]
  • [ 51047-52-0 ]
Reference: [1] Patent: US2001/36946, 2001, A1,
Same Skeleton Products
Historical Records

Related Parent Nucleus of
[ 51047-52-0 ]

Piperazines

Chemical Structure| 634468-72-7

[ 634468-72-7 ]

4-(Piperazin-1-yl)pyrimidine dihydrochloride

Similarity: 0.98

Chemical Structure| 57005-71-7

[ 57005-71-7 ]

2-(4-Methylpiperazin-1-yl)pyrimidin-4-amine

Similarity: 0.75

Chemical Structure| 34803-66-2

[ 34803-66-2 ]

1-(2-Pyridyl)piperazine

Similarity: 0.73

Chemical Structure| 5028-17-1

[ 5028-17-1 ]

2-(4-Methylpiperazin-1-yl)pyridin-3-amine

Similarity: 0.67

Chemical Structure| 20980-22-7

[ 20980-22-7 ]

2-(Piperazin-1-yl)pyrimidine

Similarity: 0.65

Pyrimidines

Chemical Structure| 634468-72-7

[ 634468-72-7 ]

4-(Piperazin-1-yl)pyrimidine dihydrochloride

Similarity: 0.98

Chemical Structure| 57005-71-7

[ 57005-71-7 ]

2-(4-Methylpiperazin-1-yl)pyrimidin-4-amine

Similarity: 0.75

Chemical Structure| 69206-89-9

[ 69206-89-9 ]

6-(Piperidin-1-yl)pyrimidin-4-amine

Similarity: 0.74

Chemical Structure| 31058-83-0

[ 31058-83-0 ]

6-Chloro-N,N-dimethylpyrimidin-4-amine

Similarity: 0.74

Chemical Structure| 591-54-8

[ 591-54-8 ]

4-Aminopyrimidine

Similarity: 0.72