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CAS 16154-62-4 BUTTPARK 839-70 molecular structure lightbox
CAS RN: 16154-62-4

BUTTPARK 839-70

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250216 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260217 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250504 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20250104 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250507 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-069168
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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: 100g
  • 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 16154-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

16154-62-4 / 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine

Standard CAS: 16154-62-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16154-62-4
Multi CAS
No
Molecular Formula
C11H14ClN3O2
Molecular Weight
255.700000
Exact Mass
255.077454
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H14ClN3O2/c1-13-4-6-14(7-5-13)11-3-2-9(15(16)17)8-10(11)12/h2-3,8H,4-7H2,1H3
InChIKey
UFFIYCVVTWWGGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.82
TPSA
49.62

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
2.3
Consensus LogP
2.02
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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