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CAS 412348-60-8 1-(5-Bromo-3-pyridyl)-4-tert-butoxycarbonylpiperazine molecular structure lightbox
CAS RN: 412348-60-8

1-(5-Bromo-3-pyridyl)-4-tert-butoxycarbonylpiperazine

  • Product code: SSC-149678
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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, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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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 412348-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

412348-60-8 / tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate

Standard CAS: 412348-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
412348-60-8
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)18-6-4-17(5-7-18)12-8-11(15)9-16-10-12/h8-10H,4-7H2,1-3H3
InChIKey
PBGUMXARVWXJNO-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
2.3
Consensus LogP
2.59
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
Leadlikeness
Yes
Synthetic Accessibility
1.5

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