CAS RN: 72544-16-2
1-Isobutyl-4-piperidone
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS72544-16-2
- Purity/Analytical Methods: >99.0%
72544-16-2 / 1-(2-methylpropyl)piperidin-4-one
Basic Information
CAS
72544-16-2
Multi CAS
No
Molecular Formula
C9H17NO
Molecular Weight
155.240000
Exact Mass
155.131014
InChI
InChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
InChIKey
KMTASGXMTBUSSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
45.52
TPSA
20.31
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
1
Consensus LogP
1.15
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(4-METHYL-PIPERAZIN-1-YL)-4-OXO-BUTYRIC ACID
- CAS RN: 72547-44-5
- Product Code: starshine_CAS72547-44-5
- Purity/Analytical method: >99.0%
-
4-oxo-4-(4-phenyl-1-piperazinyl)butanoic acid
- CAS RN: 72547-45-6
- Product Code: SSC-182043
-
-
-
3′-O-ACETYL-2′-DEOXYCYTIDINE
- CAS RN: 72560-69-1
- Product Code: starshine_CAS72560-69-1
- Purity/Analytical method: >99.0%
-
