CAS RN: 4282-42-2
1-Iodononane (stabilized with Copper chip)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: ICTI0493
- Purity/Analytical Methods: >98.0%(GC)
4282-42-2 / 1-iodononane
Basic Information
CAS
4282-42-2
Multi CAS
No
Molecular Formula
C9H19I
Molecular Weight
254.150000
Exact Mass
254.053150
InChI
InChI=1S/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChIKey
OGSJMFCWOUHXHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
7
Molar refractivity
56.88
TPSA
0.0000
LogP / Solubility
WLOGP
4.17
MLOGP
3.68
XLogP3
5.8
Consensus LogP
4.55
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
