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CAS 289471-92-7 4-Iodo-2-(phenylMethoxy)phenol molecular structure lightbox
CAS RN: 289471-92-7

4-Iodo-2-(phenylMethoxy)phenol

  • Product code: SSC-130995
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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 289471-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

289471-92-7 / 4-iodo-2-phenylmethoxyphenol

Standard CAS: 289471-92-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
289471-92-7
Multi CAS
No
Molecular Formula
C13H11IO2
Molecular Weight
326.130000
Exact Mass
325.980380
InChI
InChI=1S/C13H11IO2/c14-11-6-7-12(15)13(8-11)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKey
SUUAJTJMEHPEDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.6
TPSA
29.46

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
3.7
Consensus LogP
3.48
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

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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