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CAS 1731-88-0 Methyl Tridecanoate molecular structure lightbox
CAS RN: 1731-88-0

Methyl Tridecanoate

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 100ml In stock Inquiry
Batchno.20250128 1ml In stock Inquiry
Batchno.20251206 25ml In stock Inquiry
Batchno.20250619 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250502 100g In stock Shanghai Inquiry
Batchno.20250612 25g In stock Shanghai Inquiry
Batchno.20250627 5g In stock Shanghai Inquiry
  • Product code: SSC-076037
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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: 25g
  • 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 1731-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

1731-88-0 / methyl tridecanoate

Standard CAS: 1731-88-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1731-88-0
Multi CAS
No
Molecular Formula
C14H28O2
Molecular Weight
228.370000
Exact Mass
228.208930
SMILES
CCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3
InChIKey
JNDDPBOKWCBQSM-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
68.48
TPSA
26.3

LogP / Solubility

WLOGP
4.47
MLOGP
3.94
XLogP3
6.3
Consensus LogP
4.9
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-0.94

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (37.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H413 (25%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P354+P338, P317, and P501

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