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CAS 1357176-75-0 Benzenamine, 2-fluoro-3-methoxy-, hydrochloride molecular structure lightbox
CAS RN: 1357176-75-0

Benzenamine, 2-fluoro-3-methoxy-, hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250417 1g Out of stock 15 business days Inquiry
  • Product code: LINB930007
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1357176-75-0 / 2-fluoro-3-methoxyaniline;hydrochloride

Standard CAS: 1357176-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357176-75-0
Multi CAS
No
Molecular Formula
C7H9ClFNO
Molecular Weight
177.600000
Exact Mass
177.035670
SMILES
COC1=CC=CC(=C1F)N.Cl
InChI
InChI=1S/C7H8FNO.ClH/c1-10-6-4-2-3-5(9)7(6)8;/h2-4H,9H2,1H3;1H
InChIKey
MFQMAJVFQXQMBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.61
TPSA
35.25

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.5

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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