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CAS 479691-42-4 TERT-BUTYL 4-(4-CHLOROPYRIMIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 479691-42-4

TERT-BUTYL 4-(4-CHLOROPYRIMIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-154950
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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: 1g
  • Available purity: ≥95%
  • 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 479691-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

479691-42-4 / tert-butyl 4-(4-chloropyrimidin-2-yl)piperazine-1-carboxylate

Standard CAS: 479691-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
479691-42-4
Multi CAS
No
Molecular Formula
C13H19CLN4O2
Molecular Weight
298.770000
Exact Mass
298.119654
InChI
InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)11-15-5-4-10(14)16-11/h4-5H,6-9H2,1-3H3
InChIKey
SPSXSTDJXLNVJF-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
77.06
TPSA
58.56

LogP / Solubility

WLOGP
2.19
MLOGP
1.94
XLogP3
2.3
Consensus LogP
2.14
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.99

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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