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[ CAS No. 626-16-4 ] {[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 626-16-4
Chemical Structure| 626-16-4
Chemical Structure| 626-16-4
Structure of 626-16-4 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 626-16-4 ]

Related Doc. of [ 626-16-4 ]

Alternatived Products of [ 626-16-4 ]

Product Details of [ 626-16-4 ]

CAS No. :626-16-4 MDL No. :MFCD00000912
Formula : C8H8Cl2 Boiling Point : -
Linear Structure Formula :- InChI Key :GRJWOKACBGZOKT-UHFFFAOYSA-N
M.W : 175.06 Pubchem ID :12275
Synonyms :

Calculated chemistry of [ 626-16-4 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.97
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.19
Log Po/w (XLOGP3) : 2.72
Log Po/w (WLOGP) : 2.86
Log Po/w (MLOGP) : 3.56
Log Po/w (SILICOS-IT) : 3.76
Consensus Log Po/w : 3.02

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.95
Solubility : 0.196 mg/ml ; 0.00112 mol/l
Class : Soluble
Log S (Ali) : -2.37
Solubility : 0.74 mg/ml ; 0.00423 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.43
Solubility : 0.00643 mg/ml ; 0.0000367 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.27

Safety of [ 626-16-4 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P260-P284-P305+P351+P338-P310 UN#:2811
Hazard Statements:H302-H315-H319-H330-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 626-16-4 ]

* 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 [ 626-16-4 ]
  • Downstream synthetic route of [ 626-16-4 ]

[ 626-16-4 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 626-16-4 ]
  • [ 94-99-5 ]
Reference: [1] Patent: US5198549, 1993, A,
[2] Patent: US5198549, 1993, A,
  • 2
  • [ 71190-74-4 ]
  • [ 107-31-3 ]
  • [ 626-16-4 ]
  • [ 626-18-6 ]
Reference: [1] Patent: US4283565, 1981, A,
  • 3
  • [ 626-16-4 ]
  • [ 626-18-6 ]
Reference: [1] Canadian Journal of Research, Section B: Chemical Sciences, 1945, vol. 23, p. 106,107
  • 4
  • [ 201230-82-2 ]
  • [ 626-16-4 ]
  • [ 19806-17-8 ]
Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 11.2, p. 2101 - 2104[2] Zhurnal Organicheskoi Khimii, 1991, vol. 27, # 11, p. 2368 - 2371
  • 5
  • [ 67-56-1 ]
  • [ 201230-82-2 ]
  • [ 626-16-4 ]
  • [ 36076-19-4 ]
  • [ 19806-17-8 ]
Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 11.2, p. 2101 - 2104[2] Zhurnal Organicheskoi Khimii, 1991, vol. 27, # 11, p. 2368 - 2371
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