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CAS 147751-16-4 Carbamic acid, (methylsulfonyl)-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 147751-16-4

Carbamic acid, (methylsulfonyl)-, 1,1-dimethylethyl ester (9CI)

  • Product code: SSC-058272
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 25g, 10g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 147751-16-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry
25g >97% 2 In Stock Shanghai Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
100g >97% 1 In Stock Shanghai Inquiry

147751-16-4 / tert-butyl N-methylsulfonylcarbamate

Standard CAS: 147751-16-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147751-16-4
Multi CAS
No
Molecular Formula
C6H13NO4S
Molecular Weight
195.240000
Exact Mass
195.056529
SMILES
CC(C)(C)OC(=O)NS(=O)(=O)C
InChI
InChI=1S/C6H13NO4S/c1-6(2,3)11-5(8)7-12(4,9)10/h1-4H3,(H,7,8)
InChIKey
GAIZFMKSOHADOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.21
TPSA
72.47

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
0.5
Consensus LogP
0.46
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-3.58

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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