CAS RN: 597-93-3
5-BUTYL-5-NONANOL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250315 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS597-93-3
- Purity/Analytical Methods: >99.0%
597-93-3 / 5-butylnonan-5-ol
Basic Information
CAS
597-93-3
Multi CAS
No
Molecular Formula
C13H28O
Molecular Weight
200.360000
Exact Mass
200.214016
InChI
InChI=1S/C13H28O/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h14H,4-12H2,1-3H3
InChIKey
RWKMYNWNESNJQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.52
TPSA
20.23
LogP / Solubility
WLOGP
4.29
MLOGP
3.77
XLogP3
4.8
Consensus LogP
4.29
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
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)
-0.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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