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CAS 1483-74-5 1,1,4,4-TETRAPHENYL-2-BUTYN-1,4-DIOL molecular structure lightbox
CAS RN: 1483-74-5

1,1,4,4-TETRAPHENYL-2-BUTYN-1,4-DIOL

  • Product code: SSC-058664
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1483-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

1483-74-5 / 1,1,4,4-tetraphenylbut-2-yne-1,4-diol

Standard CAS: 1483-74-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1483-74-5
Multi CAS
No
Molecular Formula
C28H22O2
Molecular Weight
390.500000
Exact Mass
390.161980
SMILES
C1=CC=C(C=C1)C(C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C4=CC=CC=C4)O
InChI
InChI=1S/C28H22O2/c29-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,29-30H
InChIKey
CPXHDGJIYPGMMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
119.54
TPSA
40.46

LogP / Solubility

WLOGP
4.86
MLOGP
4.3
XLogP3
5.3
Consensus LogP
4.82
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

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