CAS RN: 2416949-69-2
Linagliptin Impurity 7
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.20250805 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2416949-69-2
- Purity/Analytical Methods: >99.0%
2416949-69-2 / N-(2-acetylphenyl)-2-[8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-2,6-dioxopurin-1-yl]acetamide
Basic Information
CAS
2416949-69-2
Multi CAS
No
Molecular Formula
C25H29N7O4
Molecular Weight
491.500000
Exact Mass
491.228102
SMILES
CC#CCN1C2=C(N=C1N3CCC[C@H](C3)N)N(C(=O)N(C2=O)CC(=O)NC4=CC=CC=C4C(=O)C)C
InChI
InChI=1S/C25H29N7O4/c1-4-5-13-31-21-22(28-24(31)30-12-8-9-17(26)14-30)29(3)25(36)32(23(21)35)15-20(34)27-19-11-7-6-10-18(19)16(2)33/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3,(H,27,34)/t17-/m1/s1
InChIKey
PSXRDXBDFFLJLR-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
15
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
2
Molar refractivity
137.18
TPSA
137.25
LogP / Solubility
WLOGP
0.69
MLOGP
0.64
XLogP3
1.5
Consensus LogP
0.94
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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