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CAS 1447606-44-1 4-FLUORO-5-METHOXYISOINDOLINE HCL molecular structure lightbox
CAS RN: 1447606-44-1

4-FLUORO-5-METHOXYISOINDOLINE HCL

  • Product code: SSC-056014
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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: ≥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 1447606-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1447606-44-1 / 4-fluoro-5-methoxy-2,3-dihydro-1H-isoindole;hydrochloride

Standard CAS: 1447606-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1447606-44-1
Multi CAS
No
Molecular Formula
C9H11ClFNO
Molecular Weight
203.640000
Exact Mass
203.051320
SMILES
COC1=C(C2=C(CNC2)C=C1)F.Cl
InChI
InChI=1S/C9H10FNO.ClH/c1-12-8-3-2-6-4-11-5-7(6)9(8)10;/h2-3,11H,4-5H2,1H3;1H
InChIKey
CXUGKPAUJJAQEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.74
TPSA
21.26

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.86
Consensus LogP
1.79
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.64

Drug-likeness / Medicinal Chemistry

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

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