CAS RN: 1000690-85-6
AMG-747
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1000690-85-6
- Purity/Analytical Methods: >99.0%
1000690-85-6 / 2-[4-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetic acid
Tilapertin | 1000690-85-6 | A2SV488G98
Basic Information
CAS
1000690-85-6
Multi CAS
Yes
Molecular Formula
C20H21F3N2O2
Molecular Weight
378.400000
Exact Mass
378.155512
SMILES
C1CN(CCN1CC(=O)O)[C@H](C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C20H21F3N2O2/c21-20(22,23)17-8-4-7-16(13-17)19(15-5-2-1-3-6-15)25-11-9-24(10-12-25)14-18(26)27/h1-8,13,19H,9-12,14H2,(H,26,27)/t19-/m1/s1
InChIKey
MDLQJNCGZVDZFV-LJQANCHMSA-N
Synonyms
Tilapertin
1000690-85-6
A2SV488G98
1-Piperazineacetic acid, 4-((R)-phenyl(3-(trifluoromethyl)phenyl)methyl)-
DTXSID801032317
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
95.38
TPSA
43.78
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
1.5
Consensus LogP
2.7
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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