CAS RN: 851102-41-5
(6-IODO-PYRIDIN-2-YL)-METHANOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS851102-41-5
- Purity/Analytical Methods: >99.0%
851102-41-5 / (6-iodo-2-pyridinyl)methanol
Basic Information
CAS
851102-41-5
Multi CAS
No
Molecular Formula
C6H6InO
Molecular Weight
235.020000
Exact Mass
234.949410
InChI
InChI=1S/C6H6INO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2
InChIKey
VUEZKKXLCULZHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.88
TPSA
33.12
LogP / Solubility
WLOGP
1.18
MLOGP
1.04
XLogP3
0.7
Consensus LogP
0.97
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-3.32
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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