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CAS 7493-72-3 Allyl Nonanoate molecular structure lightbox
CAS RN: 7493-72-3

Allyl Nonanoate

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251224 25ml In stock Inquiry
Batchno.20260206 5ml In stock Inquiry
  • Product code: SSC-184411
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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: 25ml
  • 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 7493-72-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥97% 0 Out of Stock Shanghai Inquiry

7493-72-3 / prop-2-enyl nonanoate

Standard CAS: 7493-72-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7493-72-3
Multi CAS
No
Molecular Formula
C12H22O2
Molecular Weight
198.300000
Exact Mass
198.161980
InChI
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3
InChIKey
MFLWLDDOGSNSKO-UHFFFAOYSA-N

Physical Properties

Boiling Point
189 to 196 °F at 3 mmHg (NTP, 1992) 151.00 °C. @ 50.00 mm Hg
Density
0.841 at 68 °F (NTP, 1992) - Less dense than water; will float 0.872-0.880
Physical Description
Allyl nonanoate is a clear very slightly yellow liquid with a fruity odor. (NTP, 1992) Liquid Colourless oily liquid with a fruital cognac/pineapple odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
59.15
TPSA
26.3

LogP / Solubility

WLOGP
3.47
MLOGP
3.05
XLogP3
4.3
Consensus LogP
3.61
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.91
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)
-1.47

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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