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CAS 66735-20-4 Isopropylamine Hydroiodide molecular structure lightbox
CAS RN: 66735-20-4

Isopropylamine Hydroiodide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS66735-20-4
  • Purity/Analytical Methods: >99.0%
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66735-20-4 / propan-2-amine;hydroiodide

Standard CAS: 66735-20-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66735-20-4
Multi CAS
No
Molecular Formula
C3H10In
Molecular Weight
187.020000
Exact Mass
186.985800
InChI
InChI=1S/C3H9N.HI/c1-3(2)4;/h3H,4H2,1-2H3;1H
InChIKey
VMLAEGAAHIIWJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.74
TPSA
26.02

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.97
Consensus LogP
0.93
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-3.17

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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