CAS RN: 1254944-66-5
SR8278
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260526 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251209 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251215 | 10mg / 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20250311 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250901 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250615 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251206 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251227 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1254944-66-5
- Purity/Analytical Methods: >99.0%
1254944-66-5 / ethyl 2-(5-methylsulfanylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
Basic Information
CAS
1254944-66-5
Multi CAS
No
Molecular Formula
C18H19NO3S2
Molecular Weight
361.500000
Exact Mass
361.080636
SMILES
CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=C(S3)SC
InChI
InChI=1S/C18H19NO3S2/c1-3-22-18(21)14-10-12-6-4-5-7-13(12)11-19(14)17(20)15-8-9-16(23-2)24-15/h4-9,14H,3,10-11H2,1-2H3
InChIKey
UIEBLUZPSFAFOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
96.54
TPSA
46.61
LogP / Solubility
WLOGP
3.6
MLOGP
3.19
XLogP3
4.1
Consensus LogP
3.63
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1254977-87-1 3-(cyclopropylMethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1254977-87-1.gif)
