CAS RN: 70289-33-7
4-(DIISOBUTYLAMINO)-1-BUTANOL
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.20260308 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS70289-33-7
- Purity/Analytical Methods: >99.0%
70289-33-7 / 4-[bis(2-methylpropyl)amino]butan-1-ol
Basic Information
CAS
70289-33-7
Multi CAS
No
Molecular Formula
C12H27NO
Molecular Weight
201.350000
Exact Mass
201.209264
InChI
InChI=1S/C12H27NO/c1-11(2)9-13(10-12(3)4)7-5-6-8-14/h11-12,14H,5-10H2,1-4H3
InChIKey
CGMXEHSYBRPJJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.44
TPSA
23.47
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
3
Consensus LogP
2.49
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.9
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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