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CAS 71486-53-8 Methyl 4-Oxopiperidine-3-carboxylate Hydrochloride molecular structure lightbox
CAS RN: 71486-53-8

Methyl 4-Oxopiperidine-3-carboxylate Hydrochloride

  • Product code: SSC-181070
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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, 5g, 10g, 25g
  • 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 71486-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry
10g >95% 0 Out of Stock Beijing Inquiry
25g >95% 0 Out of Stock Shenzhen Inquiry

71486-53-8 / methyl 4-oxopiperidine-3-carboxylate;hydrochloride

Standard CAS: 71486-53-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71486-53-8
Multi CAS
Yes
Molecular Formula
C7H12CLNO3
Molecular Weight
193.630000
Exact Mass
193.050571
InChI
InChI=1S/C7H11NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;1H
InChIKey
NMAACQILAGCQPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.25
TPSA
55.4

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.21
XLogP3
-0.24
Consensus LogP
-0.23
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-4.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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