CAS RN: 27136-73-8
2-(heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS27136-73-8
- Purity/Analytical Methods: >99.0%
27136-73-8 / 2-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
Basic Information
CAS
27136-73-8
Multi CAS
No
Molecular Formula
C22H42N2O
Molecular Weight
350.600000
Exact Mass
350.329714
SMILES
CCCCCCCCCCCCCCCC=CC1=NCCN1CCO
InChI
InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h16-17,25H,2-15,18-21H2,1H3
InChIKey
BNGLZYYFFZFNDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.86
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
110.41
TPSA
35.83
LogP / Solubility
WLOGP
5.73
MLOGP
5.06
XLogP3
7
Consensus LogP
5.93
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.73
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
Yes
Log Kp (skin permeation)
-0.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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