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[ CAS No. 19481-82-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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 19481-82-4
Chemical Structure| 19481-82-4
Chemical Structure| 19481-82-4
Structure of 19481-82-4 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 19481-82-4 ]

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Product Details of [ 19481-82-4 ]

CAS No. :19481-82-4 MDL No. :MFCD00010383
Formula : C3H4BrN Boiling Point : -
Linear Structure Formula :- InChI Key :PYNYHMRMZOGVML-UHFFFAOYSA-N
M.W : 133.97 Pubchem ID :140538
Synonyms :

Calculated chemistry of [ 19481-82-4 ]

Physicochemical Properties

Num. heavy atoms : 5
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 24.15
TPSA : 23.79 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.28
Log Po/w (XLOGP3) : 1.17
Log Po/w (WLOGP) : 1.29
Log Po/w (MLOGP) : 0.81
Log Po/w (SILICOS-IT) : 0.74
Consensus Log Po/w : 1.06

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.41
Solubility : 5.24 mg/ml ; 0.0391 mol/l
Class : Very soluble
Log S (Ali) : -1.26
Solubility : 7.28 mg/ml ; 0.0543 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.22
Solubility : 8.05 mg/ml ; 0.0601 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.22

Safety of [ 19481-82-4 ]

Signal Word:Danger Class:6.1,3
Precautionary Statements:P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P310+P330-P303+P361+P353-P304+P340+P311-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501 UN#:3275
Hazard Statements:H226-H301+H311+H331-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 19481-82-4 ]

* 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.

  • Upstream synthesis route of [ 19481-82-4 ]
  • Downstream synthetic route of [ 19481-82-4 ]

[ 19481-82-4 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 19481-82-4 ]
  • [ 1617-17-0 ]
Reference: [1] Macromolecules, 2011, vol. 44, # 19, p. 7546 - 7557
  • 2
  • [ 363-86-0 ]
  • [ 19481-82-4 ]
  • [ 58422-60-9 ]
Reference: [1] Angewandte Chemie - International Edition, 2007, vol. 46, # 19, p. 3556 - 3558
  • 3
  • [ 62-53-3 ]
  • [ 19481-82-4 ]
  • [ 2182-39-0 ]
Reference: [1] Chemical Communications, 2017, vol. 53, # 70, p. 9745 - 9748
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