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Chemistry
Heterocyclic Building Blocks
Pyrimidines
chloropyrimidine
(4-Amino-2-chloropyrimidin-5-yl)methanol
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyrimidines
Amines Chlorides Alcohols
chloropyrimidine
2-chloropyrimidin-4-amine

[ CAS No. 857427-28-2 ] {[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 857427-28-2
Chemical Structure| 857427-28-2
Chemical Structure| 857427-28-2
Structure of 857427-28-2 * Storage: {[proInfo.prStorage]}
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* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 857427-28-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 857427-28-2 ]

SDS Specification
Alternatived Products of [ 857427-28-2 ]

Product Details of [ 857427-28-2 ]

CAS No. :857427-28-2 MDL No. :MFCD20703658
Formula : C5H6ClN3O Boiling Point : -
Linear Structure Formula :- InChI Key :RJJIJAPATQZNDY-UHFFFAOYSA-N
M.W : 159.57 Pubchem ID :92134729
Synonyms :

Calculated chemistry of [ 857427-28-2 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.2
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 37.57
TPSA : 72.03 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) : -6.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.27
Log Po/w (XLOGP3) : 0.48
Log Po/w (WLOGP) : 0.06
Log Po/w (MLOGP) : -0.52
Log Po/w (SILICOS-IT) : 0.71
Consensus Log Po/w : 0.4

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.51
Solubility : 4.93 mg/ml ; 0.0309 mol/l
Class : Very soluble
Log S (Ali) : -1.56
Solubility : 4.38 mg/ml ; 0.0274 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.73
Solubility : 2.99 mg/ml ; 0.0187 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.7

Safety of [ 857427-28-2 ]

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

Application In Synthesis of [ 857427-28-2 ]

* 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 [ 857427-28-2 ]

[ 857427-28-2 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 857427-28-2 ]
  • 2-chloro-5-chloromethyl-pyrimidin-4-ylamine; dihydrochloride [ No CAS ]
Reference： [1]Justus Liebigs Annalen der Chemie,1954,vol. 588,p. 45,56
  • 3
  • [ 71406-78-5 ]
  • [ 857427-28-2 ]
Reference： [1]Justus Liebigs Annalen der Chemie,1954,vol. 588,p. 45,56
  • 4
  • [ 857427-28-2 ]
  • 3-(4-amino-2-chloro-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; chloride-hydrochloride [ No CAS ]
Reference： [1]Justus Liebigs Annalen der Chemie,1954,vol. 588,p. 45,56
  • 5
  • [ 51940-64-8 ]
  • [ 857427-28-2 ]
Reference： [1]Justus Liebigs Annalen der Chemie,1954,vol. 588,p. 45,56
  • 6
  • [ 28485-17-8 ]
  • [ 857427-28-2 ]
Reference： [1]Justus Liebigs Annalen der Chemie,1954,vol. 588,p. 45,56

Tags: 857427-28-2 synthesis path| 857427-28-2 SDS| 857427-28-2 COA| 857427-28-2 purity| 857427-28-2 application| 857427-28-2 NMR| 857427-28-2 COA| 857427-28-2 structure

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Categories
Chemistry
Heterocyclic Building Blocks
Pyrimidines
chloropyrimidine
Chemistry
Organic Building Blocks
Chlorides
chloropyrimidine
Chemistry
Heterocyclic Building Blocks
Pyrimidines
2-chloropyrimidin-4-amine
Chemistry
Organic Building Blocks
Amines
2-chloropyrimidin-4-amine
Chemistry
Organic Building Blocks
Alcohols
Historical Records

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[ 857427-28-2 ]

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Related Parent Nucleus of
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