CAS RN: 439575-02-7
N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250819 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250831 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250322 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250128 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250412 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250728 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260507 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS439575-02-7
- Purity/Analytical Methods: >99.0%
439575-02-7 / N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide
Basic Information
CAS
439575-02-7
Multi CAS
Yes
Molecular Formula
C32H41N5O4S2
Molecular Weight
623.800000
Exact Mass
623.259997
InChI
InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)
InChIKey
ZHXNIYGJAOPMSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
17
Fraction Csp3
0.44
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
172.28
TPSA
103.87
LogP / Solubility
WLOGP
5.69
MLOGP
5.06
XLogP3
5.1
Consensus LogP
5.28
Log S (ESOL)
-6.99
Class (ESOL)
Insoluble
Log S (Ali)
-8.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.52
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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