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CAS 105838-14-0 N-Boc-O-tosyl hydroxylamine molecular structure lightbox
CAS RN: 105838-14-0

N-Boc-O-tosyl hydroxylamine

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250927 100g In stock Shandong Inquiry
Batchno.20250308 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260110 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260409 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: starshine_CAS105838-14-0
  • Purity/Analytical Methods: >99.0%
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105838-14-0 / [(2-methylpropan-2-yl)oxycarbonylamino] 4-methylbenzenesulfonate

TERT-BUTYL TOSYLOXYCARBAMATE | DTXSID40450207 | RefChem:383848

Standard CAS: 105838-14-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105838-14-0
Multi CAS
No
Molecular Formula
C12H17NO5S
Molecular Weight
287.330000
Exact Mass
287.082744
SMILES
CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OC(C)(C)C
InChI
InChI=1S/C12H17NO5S/c1-9-5-7-10(8-6-9)19(15,16)18-13-11(14)17-12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKey
WZDPZKPHVNFUKB-UHFFFAOYSA-N
Synonyms
TERT-BUTYL TOSYLOXYCARBAMATE DTXSID40450207 RefChem:383848 DTXCID90401027 N-Boc-O-tosyl hydroxylamine

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.82
TPSA
81.7

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
2.5
Consensus LogP
2.18
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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