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CAS 1375958-75-0 (1,4-diazabicyclo[2.2.2]octan-1-ium-1-ylsulfonyl)(tert-butoxycarbonyl)amide molecular structure lightbox
CAS RN: 1375958-75-0

(1,4-diazabicyclo[2.2.2]octan-1-ium-1-ylsulfonyl)(tert-butoxycarbonyl)amide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260221 1g Out of stock Inquiry
  • Product code: SSC-047312
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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 1375958-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1375958-75-0 / N-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylsulfonyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate

Standard CAS: 1375958-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375958-75-0
Multi CAS
No
Molecular Formula
C11H21N3O4S
Molecular Weight
291.370000
Exact Mass
291.125277
SMILES
CC(C)(C)OC(=NS(=O)(=O)[N+]12CCN(CC1)CC2)[O-]
InChI
InChI=1S/C11H21N3O4S/c1-11(2,3)18-10(15)12-19(16,17)14-7-4-13(5-8-14)6-9-14/h4-9H2,1-3H3
InChIKey
KCAURZCKAUWSJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
68.49
TPSA
82.03

LogP / Solubility

WLOGP
-1.09
MLOGP
-0.95
XLogP3
1.5
Consensus LogP
-0.18
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.27

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
3.5

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