![CAS 494830-67-0 N,N’-1,2-ethanediylbis[2-(4-tert-butylphenoxy)acetamide] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/494830-67-0.gif)
CAS RN: 494830-67-0
N,N’-1,2-ethanediylbis[2-(4-tert-butylphenoxy)acetamide]
Product Availability
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7 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
| Batchno.20250618 | 10mg | Out of stock | Inquiry | |
| Batchno.20260208 | 1mg | Out of stock | Inquiry | |
| Batchno.20250920 | 25mg | Out of stock | Inquiry | |
| Batchno.20250922 | 2mg | Out of stock | Inquiry | |
| Batchno.20251010 | 50mg | Out of stock | Inquiry | |
| Batchno.20250723 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS494830-67-0
- Purity/Analytical Methods: >99.0%
494830-67-0 / 2-(4-tert-butylphenoxy)-N-[2-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]acetamide
Basic Information
CAS
494830-67-0
Multi CAS
No
Molecular Formula
C26H36N2O4
Molecular Weight
440.600000
Exact Mass
440.267508
InChI
InChI=1S/C26H36N2O4/c1-25(2,3)19-7-11-21(12-8-19)31-17-23(29)27-15-16-28-24(30)18-32-22-13-9-20(10-14-22)26(4,5)6/h7-14H,15-18H2,1-6H3,(H,27,29)(H,28,30)
InChIKey
ZVSHISOEPMAPLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
127.29
TPSA
76.66
LogP / Solubility
WLOGP
3.97
MLOGP
3.52
XLogP3
5.6
Consensus LogP
4.36
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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