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CAS 1028432-04-3 O-(tert-ButyldiMethylsilyl)-N-tosylhydroxylaMine molecular structure lightbox
CAS RN: 1028432-04-3

O-(tert-ButyldiMethylsilyl)-N-tosylhydroxylaMine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1028432-04-3
  • Purity/Analytical Methods: >99.0%
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1028432-04-3 / N-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzenesulfonamide

O-(tert-Butyldimethylsilyl)-N-tosylhydroxylamine | N-((tert-Butyldimethylsilyl)oxy)-4-methylbenzenesulfonamide | N-(Tert-butyldimethylsilyloxy)-4-methylbenzenesulfonamide

Standard CAS: 1028432-04-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1028432-04-3
Multi CAS
No
Molecular Formula
C13H23NO3SSi
Molecular Weight
301.480000
Exact Mass
301.116791
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C13H23NO3SSi/c1-11-7-9-12(10-8-11)18(15,16)14-17-19(5,6)13(2,3)4/h7-10,14H,1-6H3
InChIKey
XWGSCRBSSWZLBD-UHFFFAOYSA-N
Synonyms
O-(tert-Butyldimethylsilyl)-N-tosylhydroxylamine N-((tert-Butyldimethylsilyl)oxy)-4-methylbenzenesulfonamide N-(Tert-butyldimethylsilyloxy)-4-methylbenzenesulfonamide MFCD11976059 N-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzenesulfonamide

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.78
TPSA
55.4

LogP / Solubility

WLOGP
3.21
MLOGP
2.84
XLogP3
3.21
Consensus LogP
3.09
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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