![CAS 1675245-06-3 (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-9-enamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1675245-06-3.gif)
CAS RN: 1675245-06-3
(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-9-enamide
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.20260328 | 5mg / 10mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1675245-06-3
- Purity/Analytical Methods: >99.0%
1675245-06-3 / (Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-9-enamide
Basic Information
CAS
1675245-06-3
Multi CAS
No
Molecular Formula
C18H31NO3
Molecular Weight
309.400000
Exact Mass
309.230394
SMILES
CCCC/C=C\CCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h5-6,16H,2-4,7-15H2,1H3,(H,19,20)/b6-5-/t16-/m0/s1
InChIKey
CNVCBUGVTPVVJB-KJPDOMRESA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.78
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.49
TPSA
55.4
LogP / Solubility
WLOGP
3.9
MLOGP
3.44
XLogP3
4.9
Consensus LogP
4.08
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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