CAS RN: 618107-90-7
(2-AMINO-5-IODO-PYRIDIN-3-YL)-METHANOL
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS618107-90-7
- Purity/Analytical Methods: >99.0%
618107-90-7 / (2-amino-5-iodo-3-pyridinyl)methanol
Basic Information
CAS
618107-90-7
Multi CAS
No
Molecular Formula
C6H7In2O
Molecular Weight
250.040000
Exact Mass
249.960310
InChI
InChI=1S/C6H7IN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2,(H2,8,9)
InChIKey
PRUOIEDNVWNRSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.29
TPSA
59.14
LogP / Solubility
WLOGP
0.76
MLOGP
0.68
XLogP3
0.8
Consensus LogP
0.75
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.71
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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