CAS RN: 1911621-52-7
Linagliptin Impurity 10
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.20250703 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1911621-52-7
- Purity/Analytical Methods: >99.0%
1911621-52-7 / 7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
Basic Information
CAS
1911621-52-7
Multi CAS
No
Molecular Formula
C20H18N6O2
Molecular Weight
374.400000
Exact Mass
374.149124
SMILES
CC#CCN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=NC4=CC=CC=C4C(=N3)C
InChI
InChI=1S/C20H18N6O2/c1-4-5-10-25-12-21-18-17(25)19(27)26(20(28)24(18)3)11-16-22-13(2)14-8-6-7-9-15(14)23-16/h6-9,12H,10-11H2,1-3H3
InChIKey
SZDVVNIQCKMJQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
8
Molar refractivity
106.06
TPSA
87.6
LogP / Solubility
WLOGP
1.22
MLOGP
1.09
XLogP3
1.8
Consensus LogP
1.37
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-4.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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