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CAS 1731-94-8 Methyl Nonadecanoate molecular structure lightbox
CAS RN: 1731-94-8

Methyl Nonadecanoate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 100g Out of stock Inquiry
Batchno.20250417 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250823 250mg In stock Shanghai Inquiry
Batchno.20250629 25g In stock Shanghai Inquiry
Batchno.20250924 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-076039
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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: 5g
  • Available purity: ≥98%
  • 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 1731-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

1731-94-8 / methyl nonadecanoate

Standard CAS: 1731-94-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1731-94-8
Multi CAS
No
Molecular Formula
C20H40O2
Molecular Weight
312.500000
Exact Mass
312.302831
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
InChIKey
BDXAHSJUDUZLDU-UHFFFAOYSA-N

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
17
H-bond acceptors
2
Molar refractivity
96.18
TPSA
26.3

LogP / Solubility

WLOGP
6.81
MLOGP
6.01
XLogP3
9.5
Consensus LogP
7.44
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.21

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
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 6 of 6 companies. For more detailed information, please visit ECHA C&L website.

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