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CAS 445305-93-1 cyclopropylmethanesulfonamide molecular structure lightbox
CAS RN: 445305-93-1

cyclopropylmethanesulfonamide

  • Product code: SSC-152579
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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 445305-93-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

445305-93-1 / cyclopropylmethanesulfonamide

Standard CAS: 445305-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
445305-93-1
Multi CAS
No
Molecular Formula
C4H9NO2S
Molecular Weight
135.190000
Exact Mass
135.035400
InChI
InChI=1S/C4H9NO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2,(H2,5,6,7)
InChIKey
GTPINKYWKTZDBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.7
TPSA
60.16

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.3
Consensus LogP
-0.3
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
Class (SILICOS-IT)
Very 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)
-3.77

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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