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CAS 10539-95-4 DIISOPROPYLSULFAMOYL CHLORIDE molecular structure lightbox
CAS RN: 10539-95-4

DIISOPROPYLSULFAMOYL CHLORIDE

  • Product code: SSC-007145
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10539-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

10539-95-4 / N,N-di(propan-2-yl)sulfamoyl chloride

Diisopropylsulfamoyl chloride | SCHEMBL10538268 | AKOS006242300

Standard CAS: 10539-95-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10539-95-4
Multi CAS
Yes
Molecular Formula
C6H14ClNO2S
Molecular Weight
199.700000
Exact Mass
199.043378
SMILES
CC(C)N(C(C)C)S(=O)(=O)Cl
InChI
InChI=1S/C6H14ClNO2S/c1-5(2)8(6(3)4)11(7,9)10/h5-6H,1-4H3
InChIKey
SFDYIYJEECZQQX-UHFFFAOYSA-N
Synonyms
Diisopropylsulfamoyl chloride SCHEMBL10538268 AKOS006242300 Sulfamoyl chloride, bis(1-methylethyl)-

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.88
TPSA
37.38

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.9
Consensus LogP
1.63
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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