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CAS 75415-20-2 8-iodo-1-octanol acetate molecular structure lightbox
CAS RN: 75415-20-2

8-iodo-1-octanol acetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS75415-20-2
  • Purity/Analytical Methods: >99.0%
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75415-20-2 / 8-iodooctyl acetate

Standard CAS: 75415-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75415-20-2
Multi CAS
No
Molecular Formula
C10H19IO2
Molecular Weight
298.160000
Exact Mass
298.042980
InChI
InChI=1S/C10H19IO2/c1-10(12)13-9-7-5-3-2-4-6-8-11/h2-9H2,1H3
InChIKey
YSBDAKNDDWUXSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
63.22
TPSA
26.3

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
4.2
Consensus LogP
3.49
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly 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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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