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CAS 2380-27-0 METHYL 12-OXOOCTADECANOATE molecular structure lightbox
CAS RN: 2380-27-0

METHYL 12-OXOOCTADECANOATE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251217 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250614 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260202 50mg In stock Shanghai Inquiry
Batchno.20260105 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 20mg In stock Shanghai Inquiry
  • Product code: SSC-115893
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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
  • 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 2380-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

2380-27-0 / methyl 12-oxooctadecanoate

Standard CAS: 2380-27-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2380-27-0
Multi CAS
No
Molecular Formula
C19H36O3
Molecular Weight
312.500000
Exact Mass
312.266445
SMILES
CCCCCCC(=O)CCCCCCCCCCC(=O)OC
InChI
InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3
InChIKey
XVSPEBNRFAFNAV-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
6.1
Consensus LogP
5.55
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

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