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CAS 1260641-86-8 1-Isoquinolinecarboxylic acid, 6-fluoro-1,2,3,4-tetrahydro- molecular structure lightbox
CAS RN: 1260641-86-8

1-Isoquinolinecarboxylic acid, 6-fluoro-1,2,3,4-tetrahydro-

  • Product code: SSC-031725
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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 1260641-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1260641-86-8 / 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

Standard CAS: 1260641-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260641-86-8
Multi CAS
No
Molecular Formula
C10H10FNO2
Molecular Weight
195.190000
Exact Mass
195.069557
SMILES
C1CNC(C2=C1C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C10H10FNO2/c11-7-1-2-8-6(5-7)3-4-12-9(8)10(13)14/h1-2,5,9,12H,3-4H2,(H,13,14)
InChIKey
OXOUVNLVPPEGSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.48
TPSA
49.33

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
-1.1
Consensus LogP
0.32
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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