CAS RN: 79448-06-9
4-(4-hydroxybutylamino)butan-1-ol
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-188610
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
79448-06-9 / 4-(4-hydroxybutylamino)butan-1-ol
Basic Information
CAS
79448-06-9
Multi CAS
No
Molecular Formula
C8H19NO2
Molecular Weight
161.240000
Exact Mass
161.141579
InChI
InChI=1S/C8H19NO2/c10-7-3-1-5-9-6-2-4-8-11/h9-11H,1-8H2
InChIKey
FTGIHCSSXPBYMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
45.51
TPSA
52.49
LogP / Solubility
WLOGP
0.12
MLOGP
0.1
XLogP3
-0.1
Consensus LogP
0.04
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very 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)
-3.62
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
