CAS RN: 1709863-43-3
MI-103 / MI-463 / MI-503 intermediate
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.20250705 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1709863-43-3
- Purity/Analytical Methods: >99.0%
1709863-43-3 / tert-butyl 4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
Basic Information
CAS
1709863-43-3
Multi CAS
No
Molecular Formula
C18H23F3N4O2S
Molecular Weight
416.500000
Exact Mass
416.149382
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=C3C=C(SC3=NC=N2)CC(F)(F)F
InChI
InChI=1S/C18H23F3N4O2S/c1-17(2,3)27-16(26)25-6-4-11(5-7-25)24-14-13-8-12(9-18(19,20)21)28-15(13)23-10-22-14/h8,10-11H,4-7,9H2,1-3H3,(H,22,23,24)
InChIKey
WZNZSSQXNNODQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
9
Fraction Csp3
0.61
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
101.63
TPSA
67.35
LogP / Solubility
WLOGP
4.61
MLOGP
4.08
XLogP3
4.7
Consensus LogP
4.46
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99
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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