![CAS 428515-74-6 11-[4-(4-BUTYLPHENYLAZO)PHENOXY]UNDECYL METHACRYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/428515-74-6.gif)
CAS RN: 428515-74-6
11-[4-(4-BUTYLPHENYLAZO)PHENOXY]UNDECYL METHACRYLATE
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.20251129 | 100mg / 250mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS428515-74-6
- Purity/Analytical Methods: >99.0%
428515-74-6 / 11-[4-[(4-butylphenyl)diazenyl]phenoxy]undecyl 2-methylprop-2-enoate
Basic Information
CAS
428515-74-6
Multi CAS
No
Molecular Formula
C31H44N2O3
Molecular Weight
492.700000
Exact Mass
492.335193
InChI
InChI=1S/C31H44N2O3/c1-4-5-15-27-16-18-28(19-17-27)32-33-29-20-22-30(23-21-29)35-24-13-11-9-7-6-8-10-12-14-25-36-31(34)26(2)3/h16-23H,2,4-15,24-25H2,1,3H3
InChIKey
YKWVMKBZDQOJNN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
19
H-bond acceptors
5
Molar refractivity
148.49
TPSA
60.25
LogP / Solubility
WLOGP
9.45
MLOGP
8.35
XLogP3
10.5
Consensus LogP
9.43
Log S (ESOL)
-7.84
Class (ESOL)
Insoluble
Log S (Ali)
-10.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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