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CAS 105-28-2 2-Heptadecyl-4,5-dihydro-1H-imidazole molecular structure lightbox
CAS RN: 105-28-2

2-Heptadecyl-4,5-dihydro-1H-imidazole

  • Product code: SSC-006771
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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 105-28-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

105-28-2 / 2-heptadecyl-4,5-dihydro-1H-imidazole

Glyodin base | 2-Heptadecylimidazoline | NSC-424

Standard CAS: 105-28-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105-28-2
Multi CAS
No
Molecular Formula
C20H40N2
Molecular Weight
308.500000
Exact Mass
308.319149
SMILES
CCCCCCCCCCCCCCCCCC1=NCCN1
InChI
InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)
InChIKey
NCVGSSQICKMAIA-UHFFFAOYSA-N
Synonyms
Glyodin base 2-Heptadecylimidazoline NSC-424 NZ428Y1537 RefChem:1063260

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
16
H-bond acceptors
2
H-bond donors
1
Molar refractivity
99.85
TPSA
24.39

LogP / Solubility

WLOGP
6.25
MLOGP
5.51
XLogP3
7.6
Consensus LogP
6.45
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.16

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

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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