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CAS 51085-49-5 2-FLUOROANILINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 51085-49-5

2-FLUOROANILINE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS51085-49-5
  • Purity/Analytical Methods: >99.0%
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51085-49-5 / 2-fluoroaniline;hydrochloride

Standard CAS: 51085-49-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51085-49-5
Multi CAS
No
Molecular Formula
C6H7CLFN
Molecular Weight
147.580000
Exact Mass
147.025105
InChI
InChI=1S/C6H6FN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H
InChIKey
HDBRUGFOHGDYRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.06
TPSA
26.02

LogP / Solubility

WLOGP
1.83
MLOGP
1.6
XLogP3
1.83
Consensus LogP
1.75
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-2.32

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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