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CAS 674791-99-2 (S)-tert-butyl 4-benzyl-2-isopropylpiperazine-1-carboxylate molecular structure lightbox
CAS RN: 674791-99-2

(S)-tert-butyl 4-benzyl-2-isopropylpiperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250410 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-177160
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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 674791-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

674791-99-2 / tert-butyl 4-benzyl-2-propan-2-ylpiperazine-1-carboxylate

Standard CAS: 674791-99-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
674791-99-2
Multi CAS
Yes
Molecular Formula
C19H30N2O2
Molecular Weight
318.500000
Exact Mass
318.230728
InChI
InChI=1S/C19H30N2O2/c1-15(2)17-14-20(13-16-9-7-6-8-10-16)11-12-21(17)18(22)23-19(3,4)5/h6-10,15,17H,11-14H2,1-5H3
InChIKey
XFKIFDHXCLAUQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
93.29
TPSA
32.78

LogP / Solubility

WLOGP
3.76
MLOGP
3.33
XLogP3
3.8
Consensus LogP
3.63
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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