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CAS 203861-62-5 4-IODO-2-METHOXYPHENOL molecular structure lightbox
CAS RN: 203861-62-5

4-IODO-2-METHOXYPHENOL

  • Product code: SSC-095946
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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 203861-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

203861-62-5 / 4-iodo-2-methoxyphenol

Standard CAS: 203861-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
203861-62-5
Multi CAS
No
Molecular Formula
C7H7IO2
Molecular Weight
250.030000
Exact Mass
249.949080
SMILES
COC1=C(C=CC(=C1)I)O
InChI
InChI=1S/C7H7IO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKey
KJXYWMSTOWBZHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.38
TPSA
29.46

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.5
Consensus LogP
1.76
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
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)
-2.82

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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