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CAS 1243250-02-3 2-(4-piperidinyloxy)benzoic acid(SALTDATA: HCl) molecular structure lightbox
CAS RN: 1243250-02-3

2-(4-piperidinyloxy)benzoic acid(SALTDATA: HCl)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260304 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1243250-02-3
  • Purity/Analytical Methods: >99.0%
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1243250-02-3 / 2-piperidin-4-yloxybenzoic acid

Standard CAS: 1243250-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1243250-02-3
Multi CAS
No
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
SMILES
C1CNCCC1OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C12H15NO3/c14-12(15)10-3-1-2-4-11(10)16-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,15)
InChIKey
RIHCGFWIHQZMEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.92
TPSA
58.56

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
-0.6
Consensus LogP
0.75
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

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

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