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[ CAS No. 63624-28-2 ] {[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 63624-28-2
Chemical Structure| 63624-28-2
Chemical Structure| 63624-28-2
Structure of 63624-28-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 63624-28-2 ]

CAS No. :63624-28-2 MDL No. :MFCD00060683
Formula : C8H9ClO4S Boiling Point : -
Linear Structure Formula :- InChI Key :AYGZKRRIULCJKC-UHFFFAOYSA-N
M.W : 236.67 Pubchem ID :2734626
Synonyms :

Calculated chemistry of [ 63624-28-2 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.51
TPSA : 60.98 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.65 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.07
Log Po/w (XLOGP3) : 1.54
Log Po/w (WLOGP) : 2.71
Log Po/w (MLOGP) : 0.97
Log Po/w (SILICOS-IT) : 1.34
Consensus Log Po/w : 1.73

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.4
Solubility : 0.949 mg/ml ; 0.00401 mol/l
Class : Soluble
Log S (Ali) : -2.43
Solubility : 0.88 mg/ml ; 0.00372 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.2
Solubility : 0.149 mg/ml ; 0.00063 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.29

Safety of [ 63624-28-2 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 63624-28-2 ]

* 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.

  • Upstream synthesis route of [ 63624-28-2 ]
  • Downstream synthetic route of [ 63624-28-2 ]

[ 63624-28-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 151-10-0 ]
  • [ 63624-28-2 ]
Reference: [1] Journal of the American Chemical Society, 1940, vol. 62, p. 603
[2] Journal of Medicinal Chemistry, 1977, vol. 20, # 10, p. 1235 - 1239
[3] Journal of Medicinal Chemistry, 2017, vol. 60, # 3, p. 1142 - 1150
[4] Patent: WO2018/95260, 2018, A1,
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