CAS RN: 59734-23-5
4-METHYL-5-OCTANOL
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.20260409 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS59734-23-5
- Purity/Analytical Methods: >99.0%
59734-23-5 / 5-methyloctan-4-ol
Basic Information
CAS
59734-23-5
Multi CAS
Yes
Molecular Formula
C9H20O
Molecular Weight
144.250000
Exact Mass
144.151415
InChI
InChI=1S/C9H20O/c1-4-6-8(3)9(10)7-5-2/h8-10H,4-7H2,1-3H3
InChIKey
YLTHHPQUTLMNIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.99
TPSA
20.23
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
3.1
Consensus LogP
2.65
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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