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CAS 368441-99-0 METHYL 1,4-DI-BOC-PIPERAZINE-2-ACETATE molecular structure lightbox
CAS RN: 368441-99-0

METHYL 1,4-DI-BOC-PIPERAZINE-2-ACETATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-144099
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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 368441-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

368441-99-0 / ditert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1,4-dicarboxylate

Standard CAS: 368441-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
368441-99-0
Multi CAS
No
Molecular Formula
C17H30N2O6
Molecular Weight
358.400000
Exact Mass
358.210387
InChI
InChI=1S/C17H30N2O6/c1-16(2,3)24-14(21)18-8-9-19(15(22)25-17(4,5)6)12(11-18)10-13(20)23-7/h12H,8-11H2,1-7H3
InChIKey
KHNDFFYHELWSII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
91.17
TPSA
85.38

LogP / Solubility

WLOGP
2.41
MLOGP
2.14
XLogP3
1.7
Consensus LogP
2.08
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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