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CAS 352275-00-4 tert-butyl ((4-(dimethyl-l4-azanylidene)pyridin-1(4H)-yl)sulfonyl)carbamate molecular structure lightbox
CAS RN: 352275-00-4

tert-butyl ((4-(dimethyl-l4-azanylidene)pyridin-1(4H)-yl)sulfonyl)carbamate

  • Product code: SSC-142109
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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 352275-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

352275-00-4 / (1E)-N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonyl-1-[(2-methylpropan-2-yl)oxy]methanimidate

Standard CAS: 352275-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352275-00-4
Multi CAS
Yes
Molecular Formula
C12H19N3O4S
Molecular Weight
301.360000
Exact Mass
301.109627
InChI
InChI=1S/C12H19N3O4S/c1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5/h6-9H,1-5H3
InChIKey
KEQQONPVAQQBHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
73.55
TPSA
85.91

LogP / Solubility

WLOGP
-0.34
MLOGP
-0.28
XLogP3
2.9
Consensus LogP
0.76
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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