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CAS 221198-99-8 3-Fluoro-4-(4-methylpiperazin-1-yl)aniline molecular structure lightbox
CAS RN: 221198-99-8

3-Fluoro-4-(4-methylpiperazin-1-yl)aniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250509 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-106411
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • 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 221198-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
25g >98% 5 In Stock Beijing Inquiry
100g >98% 5 In Stock Shenzhen Inquiry
500g >98% 5 In Stock Hong Kong Inquiry

221198-99-8 / 3-fluoro-4-(4-methylpiperazin-1-yl)aniline

Standard CAS: 221198-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221198-99-8
Multi CAS
No
Molecular Formula
C11H16FN3
Molecular Weight
209.260000
Exact Mass
209.132826
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)N)F
InChI
InChI=1S/C11H16FN3/c1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12/h2-3,8H,4-7,13H2,1H3
InChIKey
GOPUCAPKOUZKPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.52
TPSA
32.5

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.16
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-3.17

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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