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CAS 2097938-75-3 7-Fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine hydrochloride molecular structure lightbox
CAS RN: 2097938-75-3

7-Fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 100mg Out of stock 5-7 business days Inquiry
  • Product code: LINF902206
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2097938-75-3 / 7-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride

Standard CAS: 2097938-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097938-75-3
Multi CAS
No
Molecular Formula
C10H13ClFN
Molecular Weight
201.670000
Exact Mass
201.072055
SMILES
C1CC2=C(CNC1)C=CC(=C2)F.Cl
InChI
InChI=1S/C10H12FN.ClH/c11-10-4-3-9-7-12-5-1-2-8(9)6-10;/h3-4,6,12H,1-2,5,7H2;1H
InChIKey
MBWINHIEUHRJPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.68
TPSA
12.03

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.28
Consensus LogP
2.19
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.33

Drug-likeness / Medicinal Chemistry

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

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