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CAS 104162-48-3 N-(1-(2,3-dioleyloxy)propyl)-N,N,N-trimethylammonium molecular structure lightbox
CAS RN: 104162-48-3

N-(1-(2,3-dioleyloxy)propyl)-N,N,N-trimethylammonium

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251002 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250821 1g Out of stock Inquiry
Batchno.20260102 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251226 50mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-005928
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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 104162-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

104162-48-3 / 2,3-bis[(Z)-octadec-9-enoxy]propyl-trimethylazanium chloride

N-[1-(2,3-Dioleyloxy)propyl]-N,N,N-trimethylammonium Chloride | SCHEMBL1742686 | PD197848

Standard CAS: 104162-48-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104162-48-3
Multi CAS
Yes
Molecular Formula
C42H84ClNO2
Molecular Weight
670.600000
Exact Mass
669.619059
SMILES
CCCCCCCC/C=C\CCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCC/C=C\CCCCCCCC.[Cl-]
InChI
InChI=1S/C42H84NO2.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-44-41-42(40-43(3,4)5)45-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,42H,6-19,24-41H2,1-5H3;1H/q+1;/p-1/b22-20-,23-21-;
InChIKey
LDGWQMRUWMSZIU-LQDDAWAPSA-M
Synonyms
N-[1-(2,3-Dioleyloxy)propyl]-N,N,N-trimethylammonium Chloride SCHEMBL1742686 PD197848

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.9
Rotatable bonds
37
H-bond acceptors
2
Molar refractivity
202.36
TPSA
18.46

LogP / Solubility

WLOGP
10.17
MLOGP
9.01
XLogP3
10.17
Consensus LogP
9.78
Log S (ESOL)
-7.96
Class (ESOL)
Insoluble
Log S (Ali)
-12.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.9
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
Yes
Log Kp (skin permeation)
0.41

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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