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CAS 25418-41-1 EOAI molecular structure lightbox
CAS RN: 25418-41-1

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  • Product code: SSC-121365
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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 25418-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

25418-41-1 / 2-aminoethanol;hydroiodide

Standard CAS: 25418-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25418-41-1
Multi CAS
No
Molecular Formula
C2H8INO
Molecular Weight
189.000000
Exact Mass
188.965060
SMILES
C(CO)N.I
InChI
InChI=1S/C2H7NO.HI/c3-1-2-4;/h4H,1-3H2;1H
InChIKey
WBUUOQGFAPWFMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.56
TPSA
46.25

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.39
XLogP3
-0.44
Consensus LogP
-0.42
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1

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