CAS RN: 61595-77-5
ETH 157
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260318 | 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS61595-77-5
- Purity/Analytical Methods: >99.0%
61595-77-5 / N-benzyl-2-[2-[2-(N-benzylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
Basic Information
CAS
61595-77-5
Multi CAS
Yes
Molecular Formula
C36H32N2O4
Molecular Weight
556.600000
Exact Mass
556.236208
InChI
InChI=1S/C36H32N2O4/c39-35(37(31-19-9-3-10-20-31)25-29-15-5-1-6-16-29)27-41-33-23-13-14-24-34(33)42-28-36(40)38(32-21-11-4-12-22-32)26-30-17-7-2-8-18-30/h1-24H,25-28H2
InChIKey
PVWNDKPREJPMNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
30
Fraction Csp3
0.11
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
165.58
TPSA
59.08
LogP / Solubility
WLOGP
6.91
MLOGP
6.12
XLogP3
7
Consensus LogP
6.68
Log S (ESOL)
-7.38
Class (ESOL)
Insoluble
Log S (Ali)
-9.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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