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CAS 944801-33-6 3-BAP2NA-B molecular structure lightbox
CAS RN: 944801-33-6

3-BAP2NA-B

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 200mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-209355
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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: ≥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 944801-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

944801-33-6 / 9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene

Standard CAS: 944801-33-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944801-33-6
Multi CAS
No
Molecular Formula
C30H19BR
Molecular Weight
459.400000
Exact Mass
458.067010
InChI
InChI=1S/C30H19Br/c31-30-27-14-5-3-12-25(27)29(26-13-4-6-15-28(26)30)24-11-7-10-22(19-24)23-17-16-20-8-1-2-9-21(20)18-23/h1-19H
InChIKey
XFKJCQNYVLAQMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
30
Rotatable bonds
2
Molar refractivity
137.53
TPSA
0.0000

LogP / Solubility

WLOGP
9.24
MLOGP
8.16
XLogP3
9.6
Consensus LogP
9
Log S (ESOL)
-9.1
Class (ESOL)
Insoluble
Log S (Ali)
-10
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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