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CAS 41105-35-5 1-Chloro-9,10-bis(phenylethynyl)anthracene molecular structure lightbox
CAS RN: 41105-35-5

1-Chloro-9,10-bis(phenylethynyl)anthracene

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 100g In stock Tianjin Inquiry
Batchno.20260413 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260502 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260628 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: SSC-149517
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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: 100g
  • 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 41105-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

41105-35-5 / 1-chloro-9,10-bis(2-phenylethynyl)anthracene

Standard CAS: 41105-35-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
41105-35-5
Multi CAS
Yes
Molecular Formula
C30H17CL
Molecular Weight
412.900000
Exact Mass
412.101878
InChI
InChI=1S/C30H17Cl/c31-29-17-9-16-27-26(20-18-22-10-3-1-4-11-22)24-14-7-8-15-25(24)28(30(27)29)21-19-23-12-5-2-6-13-23/h1-17H
InChIKey
IMMCAKJISYGPDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
26
Rotatable bonds
4
Molar refractivity
131.31
TPSA
0.0000

LogP / Solubility

WLOGP
7.45
MLOGP
6.58
XLogP3
9.1
Consensus LogP
7.71
Log S (ESOL)
-7.71
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
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)
0.05

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

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