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CAS 950649-15-7 4-(4-Piperidinyloxy)benzoic acid ethyl ester HCl molecular structure lightbox
CAS RN: 950649-15-7

4-(4-Piperidinyloxy)benzoic acid ethyl ester HCl

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250519 100mg In stock Shanghai Inquiry
Batchno.20260213 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250812 1g Out of stock Inquiry
Batchno.20250423 250mg In stock Shanghai Inquiry
Batchno.20251122 5g Out of stock Inquiry
  • Product code: starshine_CAS950649-15-7
  • Purity/Analytical Methods: >99.0%
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950649-15-7 / ethyl 4-piperidin-4-yloxybenzoate;hydrochloride

Standard CAS: 950649-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
950649-15-7
Multi CAS
No
Molecular Formula
C14H20CLNO3
Molecular Weight
285.760000
Exact Mass
285.113171
InChI
InChI=1S/C14H19NO3.ClH/c1-2-17-14(16)11-3-5-12(6-4-11)18-13-7-9-15-10-8-13;/h3-6,13,15H,2,7-10H2,1H3;1H
InChIKey
PUGAZCPGVWMHTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.17
TPSA
47.56

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
2.42
Consensus LogP
2.33
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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