CAS RN: 1240514-89-9
VU0364572 TFA Salt
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250316 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251213 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251024 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250724 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250731 | 5mg | Out of stock | Inquiry | ||
| Batchno.20250327 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1240514-89-9
- Purity/Analytical Methods: >99.0%
1240514-89-9 / ethyl 4-[(3R)-3-[(2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
Basic Information
CAS
1240514-89-9
Multi CAS
No
Molecular Formula
C23H32F3N3O5
Molecular Weight
487.500000
Exact Mass
487.229406
SMILES
CCOC(=O)N1CCC(CC1)N2CCC[C@H](C2)NC(=O)C3=CC=CC=C3C.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C21H31N3O3.C2HF3O2/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2;3-2(4,5)1(6)7/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25);(H,6,7)/t17-;/m1./s1
InChIKey
QEFQJTFXOBPBLZ-UNTBIKODSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
118.55
TPSA
99.18
LogP / Solubility
WLOGP
3.44
MLOGP
3.06
XLogP3
3.44
Consensus LogP
3.31
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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