CAS RN: 60301-87-3
2-(N-HEXADECANOYLAMINO)-4-NITROPHENOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250308 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS60301-87-3
- Purity/Analytical Methods: >99.0%
60301-87-3 / N-(2-hydroxy-5-nitrophenyl)hexadecanamide
Basic Information
CAS
60301-87-3
Multi CAS
Yes
Molecular Formula
C22H36N2O4
Molecular Weight
392.500000
Exact Mass
392.267508
InChI
InChI=1S/C22H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)23-20-18-19(24(27)28)16-17-21(20)25/h16-18,25H,2-15H2,1H3,(H,23,26)
InChIKey
OXIUBIYNTOOVQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
16
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.7
TPSA
92.47
LogP / Solubility
WLOGP
6.72
MLOGP
5.94
XLogP3
7.9
Consensus LogP
6.85
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.34
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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