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CAS 140-27-2 Cinnamyl Isovalerate molecular structure lightbox
CAS RN: 140-27-2

Cinnamyl Isovalerate

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 100g / 500g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-050460
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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: 100g
  • Available purity: ＞97%
  • 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 140-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

140-27-2 / [(E)-3-phenylprop-2-enyl] 3-methylbutanoate

Standard CAS: 140-27-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
140-27-2
Multi CAS
No
Molecular Formula
C14H18O2
Molecular Weight
218.290000
Exact Mass
218.130680
SMILES
CC(C)CC(=O)OC/C=C/C1=CC=CC=C1
InChI
InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+
InChIKey
FOCMOGKCPPTERB-RMKNXTFCSA-N

Physical Properties

Density
0.990-0.996
Physical Description
Colourless to pale yellow liquid, spicy, fruity, floral odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
65.89
TPSA
26.3

LogP / Solubility

WLOGP
3.29
MLOGP
2.9
XLogP3
3.9
Consensus LogP
3.36
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 284 of 284 companies. For more detailed information, please visit ECHA C&L website.

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