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CAS 886366-21-8 7-FLUORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE molecular structure lightbox
CAS RN: 886366-21-8

7-FLUORO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 1g In stock Inquiry
Batchno.20250328 250mg In stock Inquiry
Batchno.20250210 50mg In stock Inquiry
Batchno.20260423 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250612 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS886366-21-8
  • Purity/Analytical Methods: >99.0%
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886366-21-8 / 7-fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

Standard CAS: 886366-21-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886366-21-8
Multi CAS
No
Molecular Formula
C9FH11N2
Molecular Weight
166.200000
Exact Mass
166.090627
InChI
InChI=1S/C9H11FN2/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11-12H,3-4,6H2
InChIKey
NNXGSKKLUSOLHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.6
TPSA
24.06

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.1
Consensus LogP
1.21
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.78

Drug-likeness / Medicinal Chemistry

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

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