CAS RN: 77445-06-8
CHEMBRDG-BB 4011924
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.20251003 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS77445-06-8
- Purity/Analytical Methods: >99.0%
77445-06-8 / 1-[4-(aminomethyl)piperidin-1-yl]ethanone
Basic Information
CAS
77445-06-8
Multi CAS
Yes
Molecular Formula
C8H16N2O
Molecular Weight
156.230000
Exact Mass
156.126263
InChI
InChI=1S/C8H16N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-6,9H2,1H3
InChIKey
NHULDSLAXOHLGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.03
TPSA
46.33
LogP / Solubility
WLOGP
0.2
MLOGP
0.17
XLogP3
-0.5
Consensus LogP
-0.04
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very 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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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