CAS RN: 2089310-96-1
Pyridine, 2-(cyclopropyloxy)-5-iodo-
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.20251115 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2089310-96-1
- Purity/Analytical Methods: >99.0%
2089310-96-1 / 2-cyclopropyloxy-5-iodopyridine
Basic Information
CAS
2089310-96-1
Multi CAS
No
Molecular Formula
C8H8INO
Molecular Weight
261.060000
Exact Mass
260.965060
SMILES
C1CC1OC2=NC=C(C=C2)I
InChI
InChI=1S/C8H8INO/c9-6-1-4-8(10-5-6)11-7-2-3-7/h1,4-5,7H,2-3H2
InChIKey
OXFOZWJRTJUWKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.6
TPSA
22.12
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
2.4
Consensus LogP
2.2
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
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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