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CAS 886768-17-8 3-(4-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 886768-17-8

3-(4-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • Product code: SSC-200151
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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 886768-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

886768-17-8 / tert-butyl 3-(4-methoxyphenyl)piperazine-1-carboxylate

Standard CAS: 886768-17-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886768-17-8
Multi CAS
Yes
Molecular Formula
C16H24N2O3
Molecular Weight
292.370000
Exact Mass
292.178693
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-9-17-14(11-18)12-5-7-13(20-4)8-6-12/h5-8,14,17H,9-11H2,1-4H3
InChIKey
CFWSKJOGTKJXPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.54
TPSA
50.8

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2
Consensus LogP
2.29
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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