CAS RN: 23418-38-4
4-METHYL-4-NONANOL
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.20250214 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23418-38-4
- Purity/Analytical Methods: >99.0%
23418-38-4 / 4-methylnonan-4-ol
Basic Information
CAS
23418-38-4
Multi CAS
No
Molecular Formula
C10H22O
Molecular Weight
158.280000
Exact Mass
158.167065
SMILES
CCCCCC(C)(CCC)O
InChI
InChI=1S/C10H22O/c1-4-6-7-9-10(3,11)8-5-2/h11H,4-9H2,1-3H3
InChIKey
GDCOAKPWVJCNGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.67
TPSA
20.23
LogP / Solubility
WLOGP
3.12
MLOGP
2.74
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-1.47
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
2
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