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CAS 674793-32-9 5-chloro-2-fluorobenzamidine molecular structure lightbox
CAS RN: 674793-32-9

5-chloro-2-fluorobenzamidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS674793-32-9
  • Purity/Analytical Methods: >99.0%
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674793-32-9 / 5-chloro-2-fluorobenzenecarboximidamide

Standard CAS: 674793-32-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
674793-32-9
Multi CAS
Yes
Molecular Formula
C7H6CLFN2
Molecular Weight
172.590000
Exact Mass
172.020354
InChI
InChI=1S/C7H6ClFN2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H3,10,11)
InChIKey
SROQEVHFERCATR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
42.43
TPSA
49.87

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.52

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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