CAS RN: 193825-78-4
Commendamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 1mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS193825-78-4
- Purity/Analytical Methods: >99.0%
193825-78-4 / 2-(3-hydroxyhexadecanoylamino)acetic acid
Basic Information
CAS
193825-78-4
Multi CAS
No
Molecular Formula
C18H35NO4
Molecular Weight
329.500000
Exact Mass
329.256609
SMILES
CCCCCCCCCCCCCC(CC(=O)NCC(=O)O)O
InChI
InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)14-17(21)19-15-18(22)23/h16,20H,2-15H2,1H3,(H,19,21)(H,22,23)
InChIKey
MZUHHHSFDVDBCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.89
Rotatable bonds
16
H-bond acceptors
3
H-bond donors
3
Molar refractivity
92.35
TPSA
86.63
LogP / Solubility
WLOGP
3.64
MLOGP
3.22
XLogP3
5.1
Consensus LogP
3.99
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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