CAS RN: 1315329-43-1
HG6-64-1
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250531 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251027 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250309 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250703 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260110 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250506 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: starshine_CAS1315329-43-1
- Purity/Analytical Methods: >99.0%
1315329-43-1 / N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzamide
Basic Information
CAS
1315329-43-1
Multi CAS
No
Molecular Formula
C32H34F3N5O2
Molecular Weight
577.600000
Exact Mass
577.266460
SMILES
CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F
InChI
InChI=1S/C32H34F3N5O2/c1-4-39-13-15-40(16-14-39)20-25-9-10-26(18-28(25)32(33,34)35)38-31(41)23-6-5-21(2)22(17-23)7-8-24-19-37-30-27(11-12-36-30)29(24)42-3/h5-12,17-19H,4,13-16,20H2,1-3H3,(H,36,37)(H,38,41)/b8-7+
InChIKey
UMBFDGUGXMOMHX-BQYQJAHWSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
21
Fraction Csp3
0.31
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
159.54
TPSA
73.49
LogP / Solubility
WLOGP
6.46
MLOGP
5.73
XLogP3
5.7
Consensus LogP
5.96
Log S (ESOL)
-7.33
Class (ESOL)
Insoluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.74
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)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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