CAS RN: 1472611-44-1
Pyridostatin Trifluoroacetate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251001 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250316 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251231 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250517 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
| Batchno.20251227 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260301 | 50mg | In stock | Shenzhen | Inquiry |
- Product code: LINP899612
1472611-44-1 / 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid
Basic Information
CAS
1472611-44-1
Multi CAS
No
Molecular Formula
C33H33F3N8O7
Molecular Weight
710.700000
Exact Mass
710.242430
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C31H32N8O5.C2HF3O2/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29;3-2(4,5)1(6)7/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41);(H,6,7)
InChIKey
SLFYRKZWSPFGQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
26
Fraction Csp3
0.21
Rotatable bonds
13
H-bond acceptors
12
H-bond donors
6
Molar refractivity
180.97
TPSA
239.92
LogP / Solubility
WLOGP
3.33
MLOGP
2.99
XLogP3
3.33
Consensus LogP
3.22
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.69
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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