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CAS 951626-88-3 1-Piperazinecarboxylic acid, 4-(3,4-difluorophenyl)-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 951626-88-3

1-Piperazinecarboxylic acid, 4-(3,4-difluorophenyl)-, 1,1-dimethylethyl ester

  • Product code: SSC-210412
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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: ＞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 951626-88-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

951626-88-3 / tert-butyl 4-(3,4-difluorophenyl)piperazine-1-carboxylate

Standard CAS: 951626-88-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
951626-88-3
Multi CAS
No
Molecular Formula
C15F2H20N2O2
Molecular Weight
298.330000
Exact Mass
298.149284
InChI
InChI=1S/C15H20F2N2O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)11-4-5-12(16)13(17)10-11/h4-5,10H,6-9H2,1-3H3
InChIKey
UREHQZPFXMCVNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
76.38
TPSA
32.78

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
2.9
Consensus LogP
2.86
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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