CAS RN: 135529-02-1
6-(4-((4-methoxyphenyl)diazenyl)phenoxy)hexyl methacrylate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250703 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260601 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250912 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260413 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260115 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS135529-02-1
- Purity/Analytical Methods: >99.0%
135529-02-1 / 6-[4-[(4-methoxyphenyl)diazenyl]phenoxy]hexyl 2-methylprop-2-enoate
Basic Information
CAS
135529-02-1
Multi CAS
No
Molecular Formula
C23H28N2O4
Molecular Weight
396.500000
Exact Mass
396.204907
SMILES
CC(=C)C(=O)OCCCCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC
InChI
InChI=1S/C23H28N2O4/c1-18(2)23(26)29-17-7-5-4-6-16-28-22-14-10-20(11-15-22)25-24-19-8-12-21(27-3)13-9-19/h8-15H,1,4-7,16-17H2,2-3H3
InChIKey
HWMJTYVELYOWLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
113.35
TPSA
69.48
LogP / Solubility
WLOGP
6.17
MLOGP
5.45
XLogP3
5.9
Consensus LogP
5.84
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
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)
-0.76
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
2.5
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