CAS RN: 5342-71-2
4-Nitro-3-hexanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250808 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS5342-71-2
- Purity/Analytical Methods: >99.0%
5342-71-2 / 4-nitrohexan-3-ol
Basic Information
CAS
5342-71-2
Multi CAS
Yes
Molecular Formula
C6H13NO3
Molecular Weight
147.170000
Exact Mass
147.089543
InChI
InChI=1S/C6H13NO3/c1-3-5(7(9)10)6(8)4-2/h5-6,8H,3-4H2,1-2H3
InChIKey
XIXNQTGGBNDDMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.37
TPSA
63.37
LogP / Solubility
WLOGP
0.81
MLOGP
0.71
XLogP3
1.2
Consensus LogP
0.91
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-3.04
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
2.5
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