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[ CAS No. 65938-77-4 ] {[proInfo.proName]}

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Chemical Structure| 65938-77-4
Chemical Structure| 65938-77-4
Structure of 65938-77-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 65938-77-4 ]

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Product Details of [ 65938-77-4 ]

CAS No. :65938-77-4 MDL No. :MFCD00661363
Formula : C6H8N2O2S Boiling Point : No data available
Linear Structure Formula :- InChI Key :HXURYNQXMBRJLU-UHFFFAOYSA-N
M.W : 172.20 Pubchem ID :3614199
Synonyms :

Calculated chemistry of [ 65938-77-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 40.2
TPSA : 81.43 Ų

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) : -7.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.89
Log Po/w (XLOGP3) : 0.11
Log Po/w (WLOGP) : 1.12
Log Po/w (MLOGP) : -0.96
Log Po/w (SILICOS-IT) : -0.06
Consensus Log Po/w : 0.22

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.31
Solubility : 8.35 mg/ml ; 0.0485 mol/l
Class : Very soluble
Log S (Ali) : -1.38
Solubility : 7.26 mg/ml ; 0.0421 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.97
Solubility : 1.83 mg/ml ; 0.0106 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.91

Safety of [ 65938-77-4 ]

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

Application In Synthesis of [ 65938-77-4 ]

* 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 [ 65938-77-4 ]

[ 65938-77-4 ] Synthesis Path-Downstream   1~14

  • 2
  • [ 498-66-8 ]
  • [ 65938-77-4 ]
  • (1S,2R,4S,5R)-3-(5-Methyl-pyridine-2-sulfonyl)-3-aza-tricyclo[3.2.1.02,4]octane [ No CAS ]
  • 3
  • [ 622-97-9 ]
  • [ 65938-77-4 ]
  • N-(5-methyl-2-pyridinesulfonyl)(4-methylphenyl)aziridine [ No CAS ]
  • 4
  • [ 931-88-4 ]
  • [ 65938-77-4 ]
  • 9-(5-methyl-pyridine-2-sulfonyl)-9-aza-bicyclo[6.1.0]nonane [ No CAS ]
  • 5
  • [ 100-13-0 ]
  • [ 65938-77-4 ]
  • N-(5-methyl-2-pyridinesulfonyl)(4-nitrophenyl)aziridine [ No CAS ]
  • 6
  • [ 873-66-5 ]
  • [ 65938-77-4 ]
  • trans-N-(5-methyl-2-pyridinesulfonyl)-2-methyl-3-phenylaziridine [ No CAS ]
  • 7
  • [ 33143-29-2 ]
  • [ 65938-77-4 ]
  • 2,2-dimethyl-1-(5-methyl-pyridine-2-sulfonyl)-1,1a,2,7b-tetrahydro-3-oxa-1-aza-cyclopropa[<i>a</i>]naphthalene-6-carbonitrile [ No CAS ]
  • 8
  • [ 2039-82-9 ]
  • [ 65938-77-4 ]
  • N-(5-methyl-2-pyridinesulfonyl)(4-bromophenyl)aziridine [ No CAS ]
  • 9
  • [ 2628-16-2 ]
  • [ 65938-77-4 ]
  • N-(5-methyl-2-pyridinesulfonyl)(4-acetyloxyphenyl)aziridine [ No CAS ]
  • 10
  • [ 3240-34-4 ]
  • [ 65938-77-4 ]
  • [ 84494-81-5 ]
  • N-[2-(4-tert-butyldimethylsilyloxyphenyl)-2-(acetyloxy)ethyl](5-methyl-2-pyridine)sulfonamide [ No CAS ]
  • 11
  • [ 766-90-5 ]
  • [ 65938-77-4 ]
  • trans-N-(5-methyl-2-pyridinesulfonyl)-2-methyl-3-phenylaziridine [ No CAS ]
  • cis-N-(5-methyl-2-pyridinesulfonyl)-2-methyl-3-phenylaziridine [ No CAS ]
  • 12
  • [ 394-46-7 ]
  • [ 65938-77-4 ]
  • N-(5-methyl-2-pyridinesulfonyl)(2-fluorophenyl)aziridine [ No CAS ]
  • 13
  • [ 827-54-3 ]
  • [ 65938-77-4 ]
  • 5-methyl-2-[[2-(naphthalen-2-yl)aziridin-1-yl]sulfonyl]pyridine [ No CAS ]
  • 14
  • [ 2039-86-3 ]
  • [ 65938-77-4 ]
  • N-(5-methyl-2-pyridinesulfonyl)(3-bromophenyl)aziridine [ No CAS ]
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