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CAS 1274702-35-0 PDS2350 molecular structure lightbox
CAS RN: 1274702-35-0

PDS2350

  • Product code: SSC-035015
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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 1274702-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1274702-35-0 / 9-(4-bromophenyl)-10-phenylphenanthrene

Standard CAS: 1274702-35-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1274702-35-0
Multi CAS
No
Molecular Formula
C26H17Br
Molecular Weight
409.300000
Exact Mass
408.051360
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)Br
InChI
InChI=1S/C26H17Br/c27-20-16-14-19(15-17-20)26-24-13-7-5-11-22(24)21-10-4-6-12-23(21)25(26)18-8-2-1-3-9-18/h1-17H
InChIKey
KXPFJAIKSHJVTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
26
Rotatable bonds
2
Molar refractivity
120.03
TPSA
0.0000

LogP / Solubility

WLOGP
8.09
MLOGP
7.14
XLogP3
8.4
Consensus LogP
7.88
Log S (ESOL)
-8.05
Class (ESOL)
Insoluble
Log S (Ali)
-8.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
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)
0.53

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
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364

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