CAS RN: 6135-14-4
1-(Dimethylamino)-4,4-dimethylpent-1-en-3-one
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.20250119 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6135-14-4
- Purity/Analytical Methods: >99.0%
6135-14-4 / (E)-1-(dimethylamino)-4,4-dimethylpent-1-en-3-one
Basic Information
CAS
6135-14-4
Multi CAS
Yes
Molecular Formula
C9H17NO
Molecular Weight
155.240000
Exact Mass
155.131014
InChI
InChI=1S/C9H17NO/c1-9(2,3)8(11)6-7-10(4)5/h6-7H,1-5H3/b7-6+
InChIKey
AOJPVISQKIUQMZ-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.29
TPSA
20.31
LogP / Solubility
WLOGP
1.68
MLOGP
1.47
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.48
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
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