![CAS 649767-83-9 N-[(1R,2S)-2-hydroxy-1-hydroxyMethyl-2-(2-tridecyl-1-cyclopropenyl)ethyl]octanaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/649767-83-9.gif)
CAS RN: 649767-83-9
N-[(1R,2S)-2-hydroxy-1-hydroxyMethyl-2-(2-tridecyl-1-cyclopropenyl)ethyl]octanaMide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260409 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS649767-83-9
- Purity/Analytical Methods: >99.0%
649767-83-9 / N-[(1S,2R)-1,3-dihydroxy-1-(2-tridecylcyclopropen-1-yl)propan-2-yl]octanamide
Basic Information
CAS
649767-83-9
Multi CAS
Yes
Molecular Formula
C27H51NO3
Molecular Weight
437.700000
Exact Mass
437.386894
InChI
InChI=1S/C27H51NO3/c1-3-5-7-9-10-11-12-13-14-16-17-19-23-21-24(23)27(31)25(22-29)28-26(30)20-18-15-8-6-4-2/h25,27,29,31H,3-22H2,1-2H3,(H,28,30)/t25-,27+/m1/s1
InChIKey
WHXCOSOMEQMKRN-VPUSJEBWSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.89
Rotatable bonds
22
H-bond acceptors
3
H-bond donors
3
Molar refractivity
131.12
TPSA
69.56
LogP / Solubility
WLOGP
6.59
MLOGP
5.82
XLogP3
7.8
Consensus LogP
6.74
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.61
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)
-0.71
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
3.5
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