CAS RN: 1419957-49-5
4-(4-methoxybenzoyl)-1-Piperidineacetic acid
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.20250903 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1419957-49-5
- Purity/Analytical Methods: >99.0%
1419957-49-5 / 2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetic acid
Basic Information
CAS
1419957-49-5
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
SMILES
COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)O
InChI
InChI=1S/C15H19NO4/c1-20-13-4-2-11(3-5-13)15(19)12-6-8-16(9-7-12)10-14(17)18/h2-5,12H,6-10H2,1H3,(H,17,18)
InChIKey
OYTZFDWKHRIWBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.12
TPSA
66.84
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
-0.6
Consensus LogP
0.85
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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