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CAS 2092595-26-9 2-Fluoro-5-iodo-4-methoxy-phenylamine molecular structure lightbox
CAS RN: 2092595-26-9

2-Fluoro-5-iodo-4-methoxy-phenylamine

  • Product code: SSC-099017
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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: 5g
  • 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 2092595-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

2092595-26-9 / 2-fluoro-5-iodo-4-methoxyaniline

Standard CAS: 2092595-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2092595-26-9
Multi CAS
No
Molecular Formula
C7H7FINO
Molecular Weight
267.040000
Exact Mass
266.955640
SMILES
COC1=C(C=C(C(=C1)F)N)I
InChI
InChI=1S/C7H7FINO/c1-11-7-2-4(8)6(10)3-5(7)9/h2-3H,10H2,1H3
InChIKey
QIBRZNNVJAXMQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.08
TPSA
35.25

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

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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