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CAS 173943-92-5 ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 173943-92-5

ethyl 4-hydroxy-4-(2-(2-hydroxyethyl)phenyl)piperidine-1-carboxylate

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Batchno.20250111 1g In stock Shanghai Inquiry
Batchno.20250215 250mg In stock Shanghai Inquiry
Batchno.20260506 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS173943-92-5
  • Purity/Analytical Methods: >99.0%
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173943-92-5 / ethyl 4-hydroxy-4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylate

Standard CAS: 173943-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173943-92-5
Multi CAS
No
Molecular Formula
C16H23NO4
Molecular Weight
293.360000
Exact Mass
293.162708
SMILES
CCOC(=O)N1CCC(CC1)(C2=CC=CC=C2CCO)O
InChI
InChI=1S/C16H23NO4/c1-2-21-15(19)17-10-8-16(20,9-11-17)14-6-4-3-5-13(14)7-12-18/h3-6,18,20H,2,7-12H2,1H3
InChIKey
SRDFYDCDZHTOIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.96
TPSA
70

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.2
Consensus LogP
1.44
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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