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CAS 1121545-24-1 1-Bromo-8-phenylnaphthalene molecular structure lightbox
CAS RN: 1121545-24-1

1-Bromo-8-phenylnaphthalene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260422 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-012617
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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: 5g
  • Available purity: ＞97%
  • 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 1121545-24-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1121545-24-1 / 1-bromo-8-phenylnaphthalene

1-Bromo-8-phenylnaphthalene | MFCD28131626 | 1-Bromo-8-phenyl-naphthalene

Standard CAS: 1121545-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1121545-24-1
Multi CAS
No
Molecular Formula
C16H11Br
Molecular Weight
283.160000
Exact Mass
282.004410
SMILES
C1=CC=C(C=C1)C2=CC=CC3=C2C(=CC=C3)Br
InChI
InChI=1S/C16H11Br/c17-15-11-5-9-13-8-4-10-14(16(13)15)12-6-2-1-3-7-12/h1-11H
InChIKey
MHDCSUBWYJYEFD-UHFFFAOYSA-N
Synonyms
1-Bromo-8-phenylnaphthalene MFCD28131626 1-Bromo-8-phenyl-naphthalene 1-bromo-8phenylnaphthalene SCHEMBL15457919

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
Molar refractivity
77.08
TPSA
0.0000

LogP / Solubility

WLOGP
5.27
MLOGP
4.65
XLogP3
5.5
Consensus LogP
5.14
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
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)
-0.71

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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