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CAS 4045-44-7 1,2,3,4,5-Pentamethylcyclopentadiene molecular structure lightbox
CAS RN: 4045-44-7

1,2,3,4,5-Pentamethylcyclopentadiene

  • Product code: SSC-148627
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥ 93%
  • Inventory rows with stock: 1
  • 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 4045-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥ 93% 2 In Stock Shanghai Inquiry
5g ≥ 93% 0 Out of Stock Shanghai Inquiry
10g ≥ 93% 0 Out of Stock Hong Kong Inquiry
25g ≥ 93% 0 Out of Stock Beijing Inquiry
100g ≥ 93% 0 Out of Stock Hong Kong Inquiry

4045-44-7 / 1,2,3,4,5-pentamethylcyclopenta-1,3-diene

Standard CAS: 4045-44-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4045-44-7
Multi CAS
Yes
Molecular Formula
C10H16
Molecular Weight
136.230000
Exact Mass
136.125201
InChI
InChI=1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3
InChIKey
WQIQNKQYEUMPBM-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless or light yellow liquid with a mild odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Molar refractivity
45.91
TPSA
0.0000

LogP / Solubility

WLOGP
3.31
MLOGP
2.9
XLogP3
1.9
Consensus LogP
2.7
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-1.2

Drug-likeness / Medicinal Chemistry

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

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