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CAS 281235-04-9 4-PIPERIDIN-4-YL-BENZOIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 281235-04-9

4-PIPERIDIN-4-YL-BENZOIC ACID METHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS281235-04-9
  • Purity/Analytical Methods: >99.0%
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281235-04-9 / methyl 4-piperidin-4-ylbenzoate

Standard CAS: 281235-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
281235-04-9
Multi CAS
Yes
Molecular Formula
C13H17NO2
Molecular Weight
219.280000
Exact Mass
219.125929
InChI
InChI=1S/C13H17NO2/c1-16-13(15)12-4-2-10(3-5-12)11-6-8-14-9-7-11/h2-5,11,14H,6-9H2,1H3
InChIKey
GKSBLGJAXZOORS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.63
TPSA
38.33

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
2.4
Consensus LogP
2.02
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.68

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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