[email protected]
CAS 473795-43-6 tert-butyl 4-(3-bromo-2-oxopropyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 473795-43-6

tert-butyl 4-(3-bromo-2-oxopropyl)piperidine-1-carboxylate

  • Product code: SSC-154302
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: 0.1g, 0.25g, 1g, 5g
  • 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 473795-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

473795-43-6 / tert-butyl 4-(3-bromo-2-oxopropyl)piperidine-1-carboxylate

Standard CAS: 473795-43-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
473795-43-6
Multi CAS
Yes
Molecular Formula
BC13H22O3Rn
Molecular Weight
320.220000
Exact Mass
319.078310
InChI
InChI=1S/C13H22BrNO3/c1-13(2,3)18-12(17)15-6-4-10(5-7-15)8-11(16)9-14/h10H,4-9H2,1-3H3
InChIKey
XYDJXFFRMCPJRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
73.95
TPSA
46.61

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.3
Consensus LogP
2.64
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

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