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CAS 97389-11-2 4-Fluoro-5-methylbenzene-1,2-diamine molecular structure lightbox
CAS RN: 97389-11-2

4-Fluoro-5-methylbenzene-1,2-diamine

  • Product code: SSC-212274
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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 97389-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

97389-11-2 / 4-fluoro-5-methylbenzene-1,2-diamine

Standard CAS: 97389-11-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97389-11-2
Multi CAS
No
Molecular Formula
C7FH9N2
Molecular Weight
140.160000
Exact Mass
140.074976
InChI
InChI=1S/C7H9FN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3
InChIKey
SNHYTHIEXHWXCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.96
TPSA
52.04

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1
Consensus LogP
1.15
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-2.65

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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