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[ CAS No. 2736-23-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2736-23-4
Chemical Structure| 2736-23-4
Structure of 2736-23-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 2736-23-4 ]

CAS No. :2736-23-4 MDL No. :MFCD00007931
Formula : C7H5Cl2NO4S Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZSHHRBYVHTVRFK-UHFFFAOYSA-N
M.W : 270.09 Pubchem ID :17655
Synonyms :
Chemical Name :2,4-Dichloro-5-sulfamoylbenzoic acid

Calculated chemistry of [ 2736-23-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 54.42
TPSA : 105.84 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.05 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.8
Log Po/w (XLOGP3) : 1.27
Log Po/w (WLOGP) : 2.42
Log Po/w (MLOGP) : 1.14
Log Po/w (SILICOS-IT) : 0.75
Consensus Log Po/w : 1.28

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.48
Solubility : 0.897 mg/ml ; 0.00332 mol/l
Class : Soluble
Log S (Ali) : -3.09
Solubility : 0.219 mg/ml ; 0.00081 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.57
Solubility : 0.727 mg/ml ; 0.00269 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.05

Safety of [ 2736-23-4 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2736-23-4 ]

* 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.

  • Downstream synthetic route of [ 2736-23-4 ]
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