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CAS 19462-79-4 4-Bromophenanthrene molecular structure lightbox
CAS RN: 19462-79-4

4-Bromophenanthrene

  • Product code: SSC-091815
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19462-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

19462-79-4 / 4-bromophenanthrene

Standard CAS: 19462-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19462-79-4
Multi CAS
No
Molecular Formula
C14H9Br
Molecular Weight
257.120000
Exact Mass
255.988760
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)Br
InChI
InChI=1S/C14H9Br/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9H
InChIKey
NJESAUCSIMQRGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
14
Molar refractivity
69.15
TPSA
0.0000

LogP / Solubility

WLOGP
4.76
MLOGP
4.19
XLogP3
5.1
Consensus LogP
4.68
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
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)
-0.91

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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