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CAS 915920-16-0 2-(4-METHYLPIPERIDIN-1-YL)PROPANOIC ACID molecular structure lightbox
CAS RN: 915920-16-0

2-(4-METHYLPIPERIDIN-1-YL)PROPANOIC ACID

  • Product code: SSC-204851
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 915920-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

915920-16-0 / 2-(4-methylpiperidin-1-yl)propanoic acid

Standard CAS: 915920-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
915920-16-0
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
InChI
InChI=1S/C9H17NO2/c1-7-3-5-10(6-4-7)8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKey
QDYWNGCMPWBBLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.07
TPSA
40.54

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
-0.7
Consensus LogP
0.51
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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