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CAS 85387-34-4 Butanoic acid, 3-oxo-, 1-(phenylmethyl)-3-piperidinyl ester molecular structure lightbox
CAS RN: 85387-34-4

Butanoic acid, 3-oxo-, 1-(phenylmethyl)-3-piperidinyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260428 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-193738
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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: ＞97%
  • 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 85387-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

85387-34-4 / (1-benzylpiperidin-3-yl) 3-oxobutanoate

Standard CAS: 85387-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85387-34-4
Multi CAS
No
Molecular Formula
C16H21NO3
Molecular Weight
275.340000
Exact Mass
275.152144
InChI
InChI=1S/C16H21NO3/c1-13(18)10-16(19)20-15-8-5-9-17(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3
InChIKey
FGLZSMQQMLZMEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
76.13
TPSA
46.61

LogP / Solubility

WLOGP
2.17
MLOGP
1.92
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly 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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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