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CAS 58049-91-5 3,3-dimethylcyclopentene molecular structure lightbox
CAS RN: 58049-91-5

3,3-dimethylcyclopentene

  • Product code: SSC-166256
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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, 1g, 0.25g
  • 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 58049-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry

58049-91-5 / 3,3-dimethylcyclopentene

Standard CAS: 58049-91-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58049-91-5
Multi CAS
Yes
Molecular Formula
C7H12
Molecular Weight
96.170000
Exact Mass
96.093900
InChI
InChI=1S/C7H12/c1-7(2)5-3-4-6-7/h3,5H,4,6H2,1-2H3
InChIKey
FONFXXNTLGAHGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.71
Molar refractivity
32.15
TPSA
0.0000

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
2.8
Consensus LogP
2.41
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-1.63

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

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