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CAS 380430-47-7 4-FLUORO-2-ISOPROPOXYANILINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 380430-47-7

4-FLUORO-2-ISOPROPOXYANILINE HYDROCHLORIDE

  • Product code: SSC-145509
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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: 5g
  • Available purity: ＞97%
  • 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 380430-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

380430-47-7 / 4-fluoro-2-propan-2-yloxyaniline;hydrochloride

Standard CAS: 380430-47-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
380430-47-7
Multi CAS
Yes
Molecular Formula
C9H13CLFNO
Molecular Weight
205.660000
Exact Mass
205.066970
InChI
InChI=1S/C9H12FNO.ClH/c1-6(2)12-9-5-7(10)3-4-8(9)11;/h3-6H,11H2,1-2H3;1H
InChIKey
BRZWKQHIDWNMHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.82
TPSA
35.25

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
2.62
Consensus LogP
2.51
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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)
-2.12

Drug-likeness / Medicinal Chemistry

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

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