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CAS 4914-91-4 cis-3,4-Dimethyl-2-pentene molecular structure lightbox
CAS RN: 4914-91-4

cis-3,4-Dimethyl-2-pentene

  • Product code: SSC-155537
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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: 5ml
  • 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 4914-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ＞95% 0 Out of Stock Hong Kong Inquiry

4914-91-4 / 3,4-dimethylpent-2-ene

Standard CAS: 4914-91-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4914-91-4
Multi CAS
Yes
Molecular Formula
C7H14
Molecular Weight
98.190000
Exact Mass
98.109550
InChI
InChI=1S/C7H14/c1-5-7(4)6(2)3/h5-6H,1-4H3
InChIKey
PPBWEVVDSRKEIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.71
Rotatable bonds
1
Molar refractivity
34.27
TPSA
0.0000

LogP / Solubility

WLOGP
2.61
MLOGP
2.28
XLogP3
3.1
Consensus LogP
2.66
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-1.47

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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