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CAS 1207448-26-7 7-Fluoroisoquinolin-1-amine molecular structure lightbox
CAS RN: 1207448-26-7

7-Fluoroisoquinolin-1-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1207448-26-7
  • Purity/Analytical Methods: >99.0%
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1207448-26-7 / 7-fluoroisoquinolin-1-amine

7-Fluoroisoquinolin-1-amine | 7-Fluoro-1-isoquinolinamine | DTXSID701310170

Standard CAS: 1207448-26-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1207448-26-7
Multi CAS
No
Molecular Formula
C9H7FN2
Molecular Weight
162.160000
Exact Mass
162.059326
SMILES
C1=CC(=CC2=C1C=CN=C2N)F
InChI
InChI=1S/C9H7FN2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H,(H2,11,12)
InChIKey
YHVHLXHUVCPJBE-UHFFFAOYSA-N
Synonyms
7-Fluoroisoquinolin-1-amine 7-Fluoro-1-isoquinolinamine DTXSID701310170 RefChem:546384 DTXCID801740027

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.11
TPSA
38.91

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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