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CAS 141-70-8 1,1-DINEOPENTYL ETHYLENE molecular structure lightbox
CAS RN: 141-70-8

1,1-DINEOPENTYL ETHYLENE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250828 1g In stock Inquiry
Batchno.20250514 250mg In stock Inquiry
Batchno.20251229 50mg Out of stock Inquiry
  • Product code: SSC-051504
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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: ≥95%
  • 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 141-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

141-70-8 / 2,2,6,6-tetramethyl-4-methylideneheptane

Standard CAS: 141-70-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141-70-8
Multi CAS
No
Molecular Formula
C12H24
Molecular Weight
168.320000
Exact Mass
168.187801
SMILES
CC(C)(C)CC(=C)CC(C)(C)C
InChI
InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h1,8-9H2,2-7H3
InChIKey
TUFZRYOCZCLYJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
2
Molar refractivity
57.28
TPSA
0.0000

LogP / Solubility

WLOGP
4.42
MLOGP
3.88
XLogP3
5.3
Consensus LogP
4.53
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.61

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
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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