[email protected]
CAS 891494-65-8 1-BOC-BETA-OXO-3-PIPERIDINEPROPANOIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 891494-65-8

1-BOC-BETA-OXO-3-PIPERIDINEPROPANOIC ACID METHYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260301 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-201003
GET A QUOTE
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
Request Bulk Quote

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 891494-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

891494-65-8 / tert-butyl 3-(3-methoxy-3-oxopropanoyl)piperidine-1-carboxylate

Standard CAS: 891494-65-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
891494-65-8
Multi CAS
Yes
Molecular Formula
C14H23NO5
Molecular Weight
285.340000
Exact Mass
285.157623
InChI
InChI=1S/C14H23NO5/c1-14(2,3)20-13(18)15-7-5-6-10(9-15)11(16)8-12(17)19-4/h10H,5-9H2,1-4H3
InChIKey
WSZRBHLROKLBBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.79
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
72.17
TPSA
72.91

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.3
Consensus LogP
1.54
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-3.21

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

Customers Also Viewed

Get In Touch

Contact Us