![CAS 1431411-60-7 Thieno[3,2-d]pyriMidine-6-carboxaMide, 4-[4-[2-[(2,2-diMethyl-1-oxopropyl)aMino]ethyl]-1-piperidinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1431411-60-7.gif)
CAS RN: 1431411-60-7
Thieno[3,2-d]pyriMidine-6-carboxaMide, 4-[4-[2-[(2,2-diMethyl-1-oxopropyl)aMino]ethyl]-1-piperidinyl]-
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260301 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1431411-60-7
- Purity/Analytical Methods: >99.0%
1431411-60-7 / 4-[4-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
Basic Information
CAS
1431411-60-7
Multi CAS
No
Molecular Formula
C19H27N5O2S
Molecular Weight
389.500000
Exact Mass
389.188546
SMILES
CC(C)(C)C(=O)NCCC1CCN(CC1)C2=NC=NC3=C2SC(=C3)C(=O)N
InChI
InChI=1S/C19H27N5O2S/c1-19(2,3)18(26)21-7-4-12-5-8-24(9-6-12)17-15-13(22-11-23-17)10-14(27-15)16(20)25/h10-12H,4-9H2,1-3H3,(H2,20,25)(H,21,26)
InChIKey
NSPKBHVNVJWICU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.58
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
107.95
TPSA
101.21
LogP / Solubility
WLOGP
2.56
MLOGP
2.27
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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