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CAS 816-79-5 3-Ethyl-2-pentene molecular structure lightbox
CAS RN: 816-79-5

3-Ethyl-2-pentene

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260426 1ml In stock Shanghai, Hebei Inquiry
  • Product code: SSC-190006
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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 816-79-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

816-79-5 / 3-ethylpent-2-ene

Standard CAS: 816-79-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
816-79-5
Multi CAS
No
Molecular Formula
C7H14
Molecular Weight
98.190000
Exact Mass
98.109550
InChI
InChI=1S/C7H14/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3
InChIKey
XMYFZAWUNVHVGI-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.71
Rotatable bonds
2
Molar refractivity
34.34
TPSA
0.0000

LogP / Solubility

WLOGP
2.75
MLOGP
2.41
XLogP3
3.2
Consensus LogP
2.79
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-1.36

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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