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CAS 121286-64-4 Benzenamine, 4-fluoro-2,6-bis(1-methylethyl)- molecular structure lightbox
CAS RN: 121286-64-4

Benzenamine, 4-fluoro-2,6-bis(1-methylethyl)-

  • Product code: SSC-023101
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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 121286-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

121286-64-4 / 4-fluoro-2,6-di(propan-2-yl)aniline

4-fluoro-2,6-diisopropylaniline | SCHEMBL19474940 | MFCD31693028

Standard CAS: 121286-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121286-64-4
Multi CAS
No
Molecular Formula
C12H18FN
Molecular Weight
195.280000
Exact Mass
195.142328
SMILES
CC(C)C1=CC(=CC(=C1N)C(C)C)F
InChI
InChI=1S/C12H18FN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3
InChIKey
ZIUMEJRMQJELRO-UHFFFAOYSA-N
Synonyms
4-fluoro-2,6-diisopropylaniline SCHEMBL19474940 MFCD31693028 DB-138412 G66944

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.99
TPSA
26.02

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
3.6
Consensus LogP
3.49
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly 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)
-1.32

Drug-likeness / Medicinal Chemistry

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

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