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CAS 35154-45-1 cis-3-Hexenyl Isovalerate molecular structure lightbox
CAS RN: 35154-45-1

cis-3-Hexenyl Isovalerate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 1ml / 5ml / 25ml / 100ml Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-142004
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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: 5g
  • 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 35154-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

35154-45-1 / hex-3-enyl 3-methylbutanoate

Standard CAS: 35154-45-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
35154-45-1
Multi CAS
Yes
Molecular Formula
C11H20O2
Molecular Weight
184.270000
Exact Mass
184.146330
InChI
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3
InChIKey
AIQLNKITFBJPFO-UHFFFAOYSA-N

Physical Properties

Density
0.874-0.876
Physical Description
colourless liquid/swet, apple-like odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
54.46
TPSA
26.3

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
3.2
Consensus LogP
2.9
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly 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)
-1.76

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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