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CAS 1055120-85-8 tert-butyl 4-(4-bromo-2-fluorophenyl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1055120-85-8

tert-butyl 4-(4-bromo-2-fluorophenyl)piperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-007239
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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 1055120-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1055120-85-8 / tert-butyl 4-(4-bromo-2-fluorophenyl)piperazine-1-carboxylate

tert-butyl 4-(4-bromo-2-fluorophenyl)piperazine-1-carboxylate | MFCD29921680 | 1-Boc-4-(4-bromo-2-fluorophenyl)piperazine

Standard CAS: 1055120-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1055120-85-8
Multi CAS
No
Molecular Formula
C15H20BrFN2O2
Molecular Weight
359.230000
Exact Mass
358.069220
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C15H20BrFN2O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(16)10-12(13)17/h4-5,10H,6-9H2,1-3H3
InChIKey
KNJKFWUOIJHZFK-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(4-bromo-2-fluorophenyl)piperazine-1-carboxylate MFCD29921680 1-Boc-4-(4-bromo-2-fluorophenyl)piperazine SCHEMBL7123953 SCHEMBL29707341

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
84.12
TPSA
32.78

LogP / Solubility

WLOGP
3.65
MLOGP
3.23
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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