CAS RN: 2664-42-8
(Z)-N,N-dimethyl-9-octadecenamide
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250418 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2664-42-8
- Purity/Analytical Methods: >99.0%
2664-42-8 / N,N-dimethyloctadec-9-enamide
Basic Information
CAS
2664-42-8
Multi CAS
No
Molecular Formula
C20H39NO
Molecular Weight
309.500000
Exact Mass
309.303165
SMILES
CCCCCCCCC=CCCCCCCCC(=O)N(C)C
InChI
InChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h11-12H,4-10,13-19H2,1-3H3/b12-11-
InChIKey
GAXDEROCNMZYCS-QXMHVHEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.85
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
98.15
TPSA
20.31
LogP / Solubility
WLOGP
6.11
MLOGP
5.39
XLogP3
7.2
Consensus LogP
6.23
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.55
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)
-0.27
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
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