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CAS 3824-31-5 2-FLUORO-N1,N1-DIMETHYL-1,4-BENZENEDIAMINE molecular structure lightbox
CAS RN: 3824-31-5

2-FLUORO-N1,N1-DIMETHYL-1,4-BENZENEDIAMINE

  • Product code: SSC-145773
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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 3824-31-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

3824-31-5 / 2-fluoro-1-N,1-N-dimethylbenzene-1,4-diamine

Standard CAS: 3824-31-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3824-31-5
Multi CAS
Yes
Molecular Formula
C8FH11N2
Molecular Weight
154.180000
Exact Mass
154.090627
InChI
InChI=1S/C8H11FN2/c1-11(2)8-4-3-6(10)5-7(8)9/h3-5H,10H2,1-2H3
InChIKey
HWMMSIBCJCJIJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.14
TPSA
29.26

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.5
Consensus LogP
1.42
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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