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CAS 1150271-33-2 Benzyl4-(4-bromophenyl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1150271-33-2

Benzyl4-(4-bromophenyl)piperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251120 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014737
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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 1150271-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1150271-33-2 / benzyl 4-(4-bromophenyl)piperazine-1-carboxylate

BENZYL 4-(4-BROMOPHENYL)PIPERAZINE-1-CARBOXYLATE | MFCD12026064 | 1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, phenylmethyl ester

Standard CAS: 1150271-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150271-33-2
Multi CAS
No
Molecular Formula
C18H19BrN2O2
Molecular Weight
375.300000
Exact Mass
374.062990
SMILES
C1CN(CCN1C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C18H19BrN2O2/c19-16-6-8-17(9-7-16)20-10-12-21(13-11-20)18(22)23-14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKey
AOCMGNPEKPFTEC-UHFFFAOYSA-N
Synonyms
BENZYL 4-(4-BROMOPHENYL)PIPERAZINE-1-CARBOXYLATE MFCD12026064 1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, phenylmethyl ester SCHEMBL975238 BENZYL4-(4-BROMOPHENYL)PIPERAZINE-1-CARBOXYLATE

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
94.56
TPSA
32.78

LogP / Solubility

WLOGP
3.91
MLOGP
3.46
XLogP3
3.9
Consensus LogP
3.76
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.23

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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