[email protected]
CAS 236406-37-4 4-Allyl-4-Hydroxymethyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester molecular structure lightbox
CAS RN: 236406-37-4

4-Allyl-4-Hydroxymethyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-115062
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: ＞97%
  • 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 236406-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

236406-37-4 / tert-butyl 4-(hydroxymethyl)-4-prop-2-enylpiperidine-1-carboxylate

Standard CAS: 236406-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
236406-37-4
Multi CAS
No
Molecular Formula
C14H25NO3
Molecular Weight
255.350000
Exact Mass
255.183444
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC=C)CO
InChI
InChI=1S/C14H25NO3/c1-5-6-14(11-16)7-9-15(10-8-14)12(17)18-13(2,3)4/h5,16H,1,6-11H2,2-4H3
InChIKey
MANSFZGRKKLTRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.79
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.37
TPSA
49.77

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
2.1
Consensus LogP
2.31
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us