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CAS 374930-88-8 5-BROMO-2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE molecular structure lightbox
CAS RN: 374930-88-8

5-BROMO-2-(4-BOC-PIPERAZIN-1-YL)PYRIMIDINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251102 100g In stock Inquiry
Batchno.20250426 25g In stock Inquiry
Batchno.20251230 5g In stock Inquiry
  • Product code: SSC-144883
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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: 100g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 374930-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

374930-88-8 / tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate

Standard CAS: 374930-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
374930-88-8
Multi CAS
No
Molecular Formula
BC13H19O2Rn4
Molecular Weight
343.220000
Exact Mass
342.069140
InChI
InChI=1S/C13H19BrN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7H2,1-3H3
InChIKey
UKCBGXCNXOKVTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
79.75
TPSA
58.56

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
2
Consensus LogP
2.11
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly 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)
-3.18

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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