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CAS 160133-32-4 4,4-Piperidinediacetic acid, 1-(phenylMethyl)-, diethyl ester molecular structure lightbox
CAS RN: 160133-32-4

4,4-Piperidinediacetic acid, 1-(phenylMethyl)-, diethyl ester

  • Product code: SSC-068125
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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 160133-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

160133-32-4 / ethyl 2-[1-benzyl-4-(2-ethoxy-2-oxoethyl)piperidin-4-yl]acetate

Standard CAS: 160133-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160133-32-4
Multi CAS
No
Molecular Formula
C20H29NO4
Molecular Weight
347.400000
Exact Mass
347.209658
SMILES
CCOC(=O)CC1(CCN(CC1)CC2=CC=CC=C2)CC(=O)OCC
InChI
InChI=1S/C20H29NO4/c1-3-24-18(22)14-20(15-19(23)25-4-2)10-12-21(13-11-20)16-17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3
InChIKey
PUUPUDJVNOJWNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
95.89
TPSA
55.84

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
2.7
Consensus LogP
2.9
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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