CAS RN: 381683-92-7
ECOPLADIBUM
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS381683-92-7
- Purity/Analytical Methods: >99.0%
381683-92-7 / 4-[2-[1-benzhydryl-5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid
Basic Information
CAS
381683-92-7
Multi CAS
No
Molecular Formula
C39H33CL3N2O5S
Molecular Weight
748.100000
Exact Mass
746.117576
InChI
InChI=1S/C39H33Cl3N2O5S/c40-30-14-18-36-33(24-30)32(20-22-49-31-15-12-29(13-16-31)39(45)46)37(19-21-43-50(47,48)25-26-11-17-34(41)35(42)23-26)44(36)38(27-7-3-1-4-8-27)28-9-5-2-6-10-28/h1-18,23-24,38,43H,19-22,25H2,(H,45,46)
InChIKey
FMMCHWHNSUBYAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
33
Fraction Csp3
0.15
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
2
Molar refractivity
200.47
TPSA
97.63
LogP / Solubility
WLOGP
9.22
MLOGP
8.18
XLogP3
9.5
Consensus LogP
8.97
Log S (ESOL)
-9.85
Class (ESOL)
Insoluble
Log S (Ali)
-12.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.74
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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