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CAS 14531-34-1 methyl 3-oxooctadecanoate molecular structure lightbox
CAS RN: 14531-34-1

methyl 3-oxooctadecanoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251228 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-056642
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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: 0.25g, 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 14531-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

14531-34-1 / methyl 3-oxooctadecanoate

Standard CAS: 14531-34-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14531-34-1
Multi CAS
No
Molecular Formula
C19H36O3
Molecular Weight
312.500000
Exact Mass
312.266445
SMILES
CCCCCCCCCCCCCCCC(=O)CC(=O)OC
InChI
InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22-2/h3-17H2,1-2H3
InChIKey
UKKQXJNTICLENY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.89
Rotatable bonds
16
H-bond acceptors
3
Molar refractivity
91.95
TPSA
43.37

LogP / Solubility

WLOGP
5.6
MLOGP
4.94
XLogP3
7.3
Consensus LogP
5.95
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.

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