CAS RN: 33611-41-5
methyl 3-diethylaminobutyrate
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.20250204 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS33611-41-5
- Purity/Analytical Methods: >99.0%
33611-41-5 / methyl 3-(diethylamino)butanoate
Basic Information
CAS
33611-41-5
Multi CAS
Yes
Molecular Formula
C9H19NO2
Molecular Weight
173.250000
Exact Mass
173.141579
InChI
InChI=1S/C9H19NO2/c1-5-10(6-2)8(3)7-9(11)12-4/h8H,5-7H2,1-4H3
InChIKey
WUQJBIQCZYGKAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
49.02
TPSA
29.54
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.45
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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