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CAS 124050-77-7 dioctadecylamidoglycylspermine molecular structure lightbox
CAS RN: 124050-77-7

dioctadecylamidoglycylspermine

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 1mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 1mg Out of stock Inquiry
  • Product code: SSC-027752
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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 124050-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

124050-77-7 / (2S)-2,5-bis(3-aminopropylamino)-N-[2-(dioctadecylamino)acetyl]pentanamide

Standard CAS: 124050-77-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124050-77-7
Multi CAS
No
Molecular Formula
C49H102N6O2
Molecular Weight
807.400000
Exact Mass
806.806427
SMILES
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CC(=O)NC(=O)[C@H](CCCNCCCN)NCCCN
InChI
InChI=1S/C49H102N6O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44-55(45-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)46-48(56)54-49(57)47(53-43-37-40-51)38-35-41-52-42-36-39-50/h47,52-53H,3-46,50-51H2,1-2H3,(H,54,56,57)/t47-/m0/s1
InChIKey
OPCHFPHZPIURNA-MFERNQICSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Fraction Csp3
0.96
Rotatable bonds
48
H-bond acceptors
7
H-bond donors
5
Molar refractivity
249.92
TPSA
125.51

LogP / Solubility

WLOGP
11.48
MLOGP
10.18
XLogP3
15.8
Consensus LogP
12.49
Log S (ESOL)
-8.91
Class (ESOL)
Insoluble
Log S (Ali)
-14.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.51

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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