[email protected]
CAS 412348-27-7 tert-butyl 4-(6-bromopyridin-3-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 412348-27-7

tert-butyl 4-(6-bromopyridin-3-yl)piperazine-1-carboxylate

  • Product code: SSC-149677
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: 0.1g, 0.25g, 5g, 1g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 412348-27-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

412348-27-7 / tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate

Standard CAS: 412348-27-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
412348-27-7
Multi CAS
No
Molecular Formula
BC14H20O2Rn3
Molecular Weight
342.230000
Exact Mass
341.073890
InChI
InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11/h4-5,10H,6-9H2,1-3H3
InChIKey
KALSTRGHEVNYFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
81.96
TPSA
45.67

LogP / Solubility

WLOGP
2.9
MLOGP
2.57
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-2.75

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
1.5

Customers Also Viewed

Get In Touch

Contact Us