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CAS 681808-26-4 Carbamic acid, (cyclopropylsulfonyl)-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 681808-26-4

Carbamic acid, (cyclopropylsulfonyl)-, 1,1-dimethylethyl ester

  • Product code: SSC-177905
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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: 0.25g
  • 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 681808-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

681808-26-4 / tert-butyl N-cyclopropylsulfonylcarbamate

Standard CAS: 681808-26-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
681808-26-4
Multi CAS
Yes
Molecular Formula
C8H15NO4S
Molecular Weight
221.280000
Exact Mass
221.072179
InChI
InChI=1S/C8H15NO4S/c1-8(2,3)13-7(10)9-14(11,12)6-4-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey
NBXGDPBFRRQZEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.31
TPSA
72.47

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.36

Drug-likeness / Medicinal Chemistry

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

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