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[ CAS No. 23784-96-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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+
Chemical Structure| 23784-96-5
Chemical Structure| 23784-96-5
Structure of 23784-96-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 23784-96-5 ]

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Product Details of [ 23784-96-5 ]

CAS No. :23784-96-5 MDL No. :MFCD00009764
Formula : C5H4Cl2S Boiling Point : -
Linear Structure Formula :- InChI Key :MQTKXCOGYOYAMW-UHFFFAOYSA-N
M.W : 167.06 Pubchem ID :583079
Synonyms :

Calculated chemistry of [ 23784-96-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.2
Num. rotatable bonds : 1
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 39.09
TPSA : 28.24 ?2

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) : -5.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.16
Log Po/w (XLOGP3) : 2.99
Log Po/w (WLOGP) : 2.99
Log Po/w (MLOGP) : 2.53
Log Po/w (SILICOS-IT) : 4.15
Consensus Log Po/w : 2.96

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.16
Solubility : 0.117 mg/ml ; 0.000698 mol/l
Class : Soluble
Log S (Ali) : -3.25
Solubility : 0.0946 mg/ml ; 0.000566 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.3
Solubility : 0.0845 mg/ml ; 0.000506 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.43

Safety of [ 23784-96-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338-P310-P406-P405 UN#:3265
Hazard Statements:H314-H290 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 23784-96-5 ]

* 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 [ 23784-96-5 ]
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