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CAS 21573-31-9 oct-7-enal molecular structure lightbox
CAS RN: 21573-31-9

oct-7-enal

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250824 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-103395
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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 21573-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

21573-31-9 / oct-7-enal

Standard CAS: 21573-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21573-31-9
Multi CAS
No
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
SMILES
C=CCCCCCC=O
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2,8H,1,3-7H2
InChIKey
LIINGNMKNRSOGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
39.35
TPSA
17.07

LogP / Solubility

WLOGP
2.32
MLOGP
2.03
XLogP3
2.2
Consensus LogP
2.18
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-1.84

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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