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CAS 177991-01-4 Tetrakis(4-ethynylphenyl)methane molecular structure lightbox
CAS RN: 177991-01-4

Tetrakis(4-ethynylphenyl)methane

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250507 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260214 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250729 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250606 5g Out of stock Inquiry
  • Product code: SSC-077913
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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: ≥98%
  • 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 177991-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

177991-01-4 / 1-ethynyl-4-[tris(4-ethynylphenyl)methyl]benzene

Standard CAS: 177991-01-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
177991-01-4
Multi CAS
No
Molecular Formula
C33H20
Molecular Weight
416.500000
Exact Mass
416.156501
SMILES
C#CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#C)(C3=CC=C(C=C3)C#C)C4=CC=C(C=C4)C#C
InChI
InChI=1S/C33H20/c1-5-25-9-17-29(18-10-25)33(30-19-11-26(6-2)12-20-30,31-21-13-27(7-3)14-22-31)32-23-15-28(8-4)16-24-32/h1-4,9-24H
InChIKey
JGUCYLISNORQFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.03
Rotatable bonds
4
Molar refractivity
136.49
TPSA
0.0000

LogP / Solubility

WLOGP
5.99
MLOGP
5.3
XLogP3
8
Consensus LogP
6.43
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.82
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

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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