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CAS 1301739-25-2 2,4-diiodo-6-fluoroaniline molecular structure lightbox
CAS RN: 1301739-25-2

2,4-diiodo-6-fluoroaniline

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 1g In stock Shanghai Inquiry
Batchno.20250418 250mg In stock Shanghai Inquiry
Batchno.20260305 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1301739-25-2
  • Purity/Analytical Methods: >99.0%
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1301739-25-2 / 2-fluoro-4,6-diiodoaniline

Standard CAS: 1301739-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1301739-25-2
Multi CAS
No
Molecular Formula
C6H4FI2N
Molecular Weight
362.910000
Exact Mass
362.841720
SMILES
C1=C(C=C(C(=C1F)N)I)I
InChI
InChI=1S/C6H4FI2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
InChIKey
FIOIEYFUKOZCHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.25
TPSA
26.02

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.51
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08

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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