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CAS 467426-68-2 (cis)-N,N-diethyl-2-iodocyclopropanecarboxaMide molecular structure lightbox
CAS RN: 467426-68-2

(cis)-N,N-diethyl-2-iodocyclopropanecarboxaMide

  • Product code: SSC-153972
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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 467426-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

467426-68-2 / cis-(1R,2R)-N,N-diethyl-2-iodocyclopropane-1-carboxamide

Standard CAS: 467426-68-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
467426-68-2
Multi CAS
Yes
Molecular Formula
C8H14InO
Molecular Weight
267.110000
Exact Mass
267.012010
InChI
InChI=1S/C8H14INO/c1-3-10(4-2)8(11)6-5-7(6)9/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey
ZFCGMGMQICLJSS-RQJHMYQMSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
53.84
TPSA
20.31

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.6
Consensus LogP
1.59
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

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
2.5

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