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CAS 307498-21-1 3-Dodecylbenzaldehyde molecular structure lightbox
CAS RN: 307498-21-1

3-Dodecylbenzaldehyde

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 200mg In stock Shanghai Inquiry
  • Product code: SSC-135694
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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 307498-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

307498-21-1 / 3-dodecylbenzaldehyde

Standard CAS: 307498-21-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
307498-21-1
Multi CAS
No
Molecular Formula
C19H30O
Molecular Weight
274.400000
Exact Mass
274.229666
InChI
InChI=1S/C19H30O/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19(16-18)17-20/h12,14-17H,2-11,13H2,1H3
InChIKey
ZZFKTLFANQRCAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
87.38
TPSA
17.07

LogP / Solubility

WLOGP
5.96
MLOGP
5.26
XLogP3
7.6
Consensus LogP
6.27
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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