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CAS 319-04-0 Naphthalene, 7-broMo-1-fluoro- molecular structure lightbox
CAS RN: 319-04-0

Naphthalene, 7-broMo-1-fluoro-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260111 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS319-04-0
  • Purity/Analytical Methods: >99.0%
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319-04-0 / 7-bromo-1-fluoronaphthalene

Standard CAS: 319-04-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
319-04-0
Multi CAS
No
Molecular Formula
BC10H6Rf
Molecular Weight
225.060000
Exact Mass
223.963690
InChI
InChI=1S/C10H6BrF/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6H
InChIKey
WEEKQYGCPGZKSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
51.61
TPSA
0.0000

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
4.1
Consensus LogP
3.71
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44

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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