![CAS 565166-93-0 4-[2-(2,6-DIMETHYL-PIPERIDIN-1-YL)-2-OXO-ETHOXY]-BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2774990.gif)
CAS RN: 565166-93-0
4-[2-(2,6-DIMETHYL-PIPERIDIN-1-YL)-2-OXO-ETHOXY]-BENZOIC ACID
- Product code: SSC-164481
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
565166-93-0 / 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
Basic Information
CAS
565166-93-0
Multi CAS
No
Molecular Formula
C16H21NO4
Molecular Weight
291.340000
Exact Mass
291.147058
InChI
InChI=1S/C16H21NO4/c1-11-4-3-5-12(2)17(11)15(18)10-21-14-8-6-13(7-9-14)16(19)20/h6-9,11-12H,3-5,10H2,1-2H3,(H,19,20)
InChIKey
KWQBRUAGAALBJS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.52
TPSA
66.84
LogP / Solubility
WLOGP
2.55
MLOGP
2.26
XLogP3
2.5
Consensus LogP
2.44
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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