CAS RN: 4402-34-0
N-n-butyl diisopropanol amine
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.20260130 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4402-34-0
- Purity/Analytical Methods: >99.0%
4402-34-0 / 1-[butyl(2-hydroxypropyl)amino]propan-2-ol
Basic Information
CAS
4402-34-0
Multi CAS
No
Molecular Formula
C10H23NO2
Molecular Weight
189.300000
Exact Mass
189.172879
InChI
InChI=1S/C10H23NO2/c1-4-5-6-11(7-9(2)12)8-10(3)13/h9-10,12-13H,4-8H2,1-3H3
InChIKey
UMXUEZVHHYJJQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.71
TPSA
43.7
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-3.27
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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