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CAS 133338-85-9 LITHIUM IONOPHORE VIII molecular structure lightbox
CAS RN: 133338-85-9

LITHIUM IONOPHORE VIII

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 50mg In stock Shanghai Inquiry
  • Product code: SSC-040030
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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 133338-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

133338-85-9 / 2-[2,2-bis[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]butoxy]-N,N-dicyclohexylacetamide

Standard CAS: 133338-85-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
133338-85-9
Multi CAS
No
Molecular Formula
C48H83N3O6
Molecular Weight
798.200000
Exact Mass
797.628187
SMILES
CCC(COCC(=O)N(C1CCCCC1)C2CCCCC2)(COCC(=O)N(C3CCCCC3)C4CCCCC4)COCC(=O)N(C5CCCCC5)C6CCCCC6
InChI
InChI=1S/C48H83N3O6/c1-2-48(36-55-33-45(52)49(39-21-9-3-10-22-39)40-23-11-4-12-24-40,37-56-34-46(53)50(41-25-13-5-14-26-41)42-27-15-6-16-28-42)38-57-35-47(54)51(43-29-17-7-18-30-43)44-31-19-8-20-32-44/h39-44H,2-38H2,1H3
InChIKey
QSTVDAZAPLNMPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Fraction Csp3
0.94
Rotatable bonds
19
H-bond acceptors
6
Molar refractivity
226.96
TPSA
88.62

LogP / Solubility

WLOGP
9.91
MLOGP
8.8
XLogP3
10.2
Consensus LogP
9.64
Log S (ESOL)
-9.78
Class (ESOL)
Insoluble
Log S (Ali)
-13.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.55

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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