CAS RN: 1356354-09-0
T-3364366
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.20260110 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1356354-09-0
- Purity/Analytical Methods: >99.0%
1356354-09-0 / N-[2-[4-oxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]thieno[3,4-d]pyrimidin-2-yl]sulfanylethyl]acetamide
Basic Information
CAS
1356354-09-0
Multi CAS
No
Molecular Formula
C18H16F3N3O3S2
Molecular Weight
443.500000
Exact Mass
443.058518
SMILES
CC(=O)NCCSC1=NC2=CSC=C2C(=O)N1C3=CC=C(C=C3)OCC(F)(F)F
InChI
InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25)
InChIKey
BVRXQXNVDLUWMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
106.17
TPSA
73.22
LogP / Solubility
WLOGP
3.62
MLOGP
3.21
XLogP3
3.5
Consensus LogP
3.44
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble
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)
-2.86
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
2.5
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