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CAS 29639-77-8 2-(4-Iodo-phenoxy)-ethanol molecular structure lightbox
CAS RN: 29639-77-8

2-(4-Iodo-phenoxy)-ethanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250102 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS29639-77-8
  • Purity/Analytical Methods: >99.0%
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29639-77-8 / 2-(4-iodophenoxy)ethanol

Standard CAS: 29639-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29639-77-8
Multi CAS
No
Molecular Formula
C8H9IO2
Molecular Weight
264.060000
Exact Mass
263.964730
InChI
InChI=1S/C8H9IO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
InChIKey
NANFKPXADIOTRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.74
TPSA
29.46

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

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
1.5

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