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CAS 2339-59-5 4-FLUORO-BENZAMIDINE HCL H2O molecular structure lightbox
CAS RN: 2339-59-5

4-FLUORO-BENZAMIDINE HCL H2O

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251105 1g In stock Inquiry
Batchno.20250507 25g In stock Inquiry
Batchno.20251011 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2339-59-5
  • Purity/Analytical Methods: >99.0%
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2339-59-5 / 4-fluorobenzenecarboximidamide

Standard CAS: 2339-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2339-59-5
Multi CAS
No
Molecular Formula
C7H7FN2
Molecular Weight
138.140000
Exact Mass
138.059326
SMILES
C1=CC(=CC=C1C(=N)N)F
InChI
InChI=1S/C7H7FN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
InChIKey
OSTGTIZRQZOYAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
37.42
TPSA
49.87

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1
Consensus LogP
1.03
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-2.77

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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