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CAS 886493-63-6 (4-HYDROXY-PHENYL)-(2-OXO-PIPERIDIN-1-YL)-ACETIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 886493-63-6

(4-HYDROXY-PHENYL)-(2-OXO-PIPERIDIN-1-YL)-ACETIC ACID ETHYL ESTER

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS886493-63-6
  • Purity/Analytical Methods: >99.0%
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886493-63-6 / ethyl 2-(4-hydroxyphenyl)-2-(2-oxopiperidin-1-yl)acetate

Standard CAS: 886493-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886493-63-6
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
InChI
InChI=1S/C15H19NO4/c1-2-20-15(19)14(11-6-8-12(17)9-7-11)16-10-4-3-5-13(16)18/h6-9,14,17H,2-5,10H2,1H3
InChIKey
XFWQUDRBHCADKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.04
TPSA
66.84

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
1.8
Consensus LogP
1.86
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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