[email protected]
CAS 25504-47-6 Methyl 2-oxopiperidine-4-carboxylate molecular structure lightbox
CAS RN: 25504-47-6

Methyl 2-oxopiperidine-4-carboxylate

  • Product code: SSC-121516
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 0.25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 25504-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 4 In Stock Shanghai Inquiry
25g >97% 4 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
100g >97% 2 In Stock Shenzhen Inquiry

25504-47-6 / methyl 2-oxopiperidine-4-carboxylate

Standard CAS: 25504-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25504-47-6
Multi CAS
No
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
SMILES
COC(=O)C1CCNC(=O)C1
InChI
InChI=1S/C7H11NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h5H,2-4H2,1H3,(H,8,9)
InChIKey
BIESXMIFDWYKTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.75
TPSA
55.4

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.28
XLogP3
-0.5
Consensus LogP
-0.36
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
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)
-3.9

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us