CAS RN: 881375-00-4
KU 0060648
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260521 | 100mg | In stock | Inquiry |
| Batchno.20251111 | 10mg | In stock | Inquiry |
| Batchno.20250328 | 1mg | In stock | Inquiry |
| Batchno.20251116 | 25mg | In stock | Inquiry |
| Batchno.20260206 | 2mg | In stock | Inquiry |
| Batchno.20260413 | 50mg | In stock | Inquiry |
| Batchno.20250305 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS881375-00-4
- Purity/Analytical Methods: >99.0%
881375-00-4 / 2-(4-ethylpiperazin-1-yl)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
Basic Information
CAS
881375-00-4
Multi CAS
Yes
Molecular Formula
C33H34N4O4S
Molecular Weight
582.700000
Exact Mass
582.230077
InChI
InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
InChIKey
AATCBLYHOUOCTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
23
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
171.02
TPSA
78.26
LogP / Solubility
WLOGP
5.24
MLOGP
4.66
XLogP3
4.9
Consensus LogP
4.93
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-8.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6
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