CAS RN: 1326714-64-0

4-iodofuro[2,3-c]pyridin-7-ylamine

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  • Product code: starshine_CAS1326714-64-0
  • Purity/Analytical Methods: >99.0%
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1326714-64-0 / 4-iodofuro[2,3-c]pyridin-7-amine

Standard CAS: 1326714-64-0 Multi CAS: No

Basic Information

CAS
1326714-64-0
Multi CAS
No
Molecular Formula
C7H5IN2O
Molecular Weight
260.030000
Exact Mass
259.944660
SMILES
C1=COC2=C1C(=CN=C2N)I
InChI
InChI=1S/C7H5IN2O/c8-5-3-10-7(9)6-4(5)1-2-11-6/h1-3H,(H2,9,10)
InChIKey
RPJBFFOUAJFABO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.14
TPSA
52.05

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

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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