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CAS 221198-29-4 1-(2-FLUORO-4-NITROPHENYL)-4-METHYLPIPERAZINE molecular structure lightbox
CAS RN: 221198-29-4

1-(2-FLUORO-4-NITROPHENYL)-4-METHYLPIPERAZINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250216 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-106410
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 25g, 1g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 221198-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

221198-29-4 / 1-(2-fluoro-4-nitrophenyl)-4-methylpiperazine

Standard CAS: 221198-29-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221198-29-4
Multi CAS
No
Molecular Formula
C11H14FN3O2
Molecular Weight
239.250000
Exact Mass
239.107005
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C11H14FN3O2/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
UWZIHNDVFUJRHD-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
62.76
TPSA
49.62

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.8
Consensus LogP
1.53
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12

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
No
Synthetic Accessibility
1.5

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