[email protected]
CAS 13146-23-1 COPPER (I) PHENYLACETYLIDE molecular structure lightbox
CAS RN: 13146-23-1

COPPER (I) PHENYLACETYLIDE

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250430 1g In stock Shanghai, Chongqing Inquiry
Batchno.20260213 250mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS13146-23-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13146-23-1 / copper(1+);ethynylbenzene

Standard CAS: 13146-23-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13146-23-1
Multi CAS
No
Molecular Formula
C8H5Cu
Molecular Weight
164.670000
Exact Mass
163.968722
SMILES
[C-]#CC1=CC=CC=C1.[Cu+]
InChI
InChI=1S/C8H5.Cu/c1-2-8-6-4-3-5-7-8;/h3-7H;/q-1;+1
InChIKey
SFLVZUJLUPAJNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
32.67
TPSA
0.0000

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
1.62
Consensus LogP
1.55
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H250 (100%): Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids] H251 (100%): Self-heating; may catch fire [Danger Self-heating substances and mixtures] H260 (100%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P222, P223, P231, P231+P232, P233, P235, P260, P264, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, P407, P410, P413, P420, and P501

Customers Also Viewed

Get In Touch

Contact Us