CAS RN: 1951439-39-6
3-Methyl-4-(N-Piperidinyl)benzophenone
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.20250319 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1951439-39-6
- Purity/Analytical Methods: >99.0%
1951439-39-6 / (3-methyl-4-piperidin-1-ylphenyl)-phenylmethanone
Basic Information
CAS
1951439-39-6
Multi CAS
No
Molecular Formula
C19H21NO
Molecular Weight
279.400000
Exact Mass
279.162314
SMILES
CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C19H21NO/c1-15-14-17(19(21)16-8-4-2-5-9-16)10-11-18(15)20-12-6-3-7-13-20/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3
InChIKey
OYNYDISOIIKOMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
87.12
TPSA
20.31
LogP / Solubility
WLOGP
4.22
MLOGP
3.72
XLogP3
4.6
Consensus LogP
4.18
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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