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Chemistry
Heterocyclic Building Blocks
Pyridines
methoxypyridine
3-Bromo-2-chloro-4-methoxypyridine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Bromides Chlorides Ethers
methoxypyridine
4-methoxypyridine 2-chloro-4-methoxypyridine

[ CAS No. 144584-29-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 144584-29-2
Chemical Structure| 144584-29-2
Chemical Structure| 144584-29-2
Structure of 144584-29-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 144584-29-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 144584-29-2 ]

SDS Specification
Alternatived Products of [ 144584-29-2 ]

Product Details of [ 144584-29-2 ]

CAS No. :144584-29-2 MDL No. :MFCD14705097
Formula : C6H5BrClNO Boiling Point : -
Linear Structure Formula :- InChI Key :WNCWAYKQILUYEO-UHFFFAOYSA-N
M.W : 222.47 Pubchem ID :10421125
Synonyms :

Calculated chemistry of [ 144584-29-2 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.44
TPSA : 22.12 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) : -5.9 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.09
Log Po/w (XLOGP3) : 2.48
Log Po/w (WLOGP) : 2.51
Log Po/w (MLOGP) : 1.52
Log Po/w (SILICOS-IT) : 2.67
Consensus Log Po/w : 2.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.16
Solubility : 0.154 mg/ml ; 0.000692 mol/l
Class : Soluble
Log S (Ali) : -2.59
Solubility : 0.573 mg/ml ; 0.00258 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.63
Solubility : 0.0524 mg/ml ; 0.000236 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.77

Safety of [ 144584-29-2 ]

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 [ 144584-29-2 ]

* 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.

  • Upstream synthesis route of [ 144584-29-2 ]
  • Downstream synthetic route of [ 144584-29-2 ]

[ 144584-29-2 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 144584-32-7 ]
  • [ 144584-29-2 ]
Reference： [1] Synthetic Communications, 1992, vol. 22, # 19, p. 2829 - 2837
  • 2
  • [ 626-03-9 ]
  • [ 144584-29-2 ]
Reference： [1] Synthetic Communications, 1992, vol. 22, # 19, p. 2829 - 2837
  • 3
  • [ 96245-97-5 ]
  • [ 144584-29-2 ]
Reference： [1] Synthetic Communications, 1992, vol. 22, # 19, p. 2829 - 2837

Tags: 144584-29-2 synthesis path| 144584-29-2 SDS| 144584-29-2 COA| 144584-29-2 purity| 144584-29-2 application| 144584-29-2 NMR| 144584-29-2 COA| 144584-29-2 structure

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