.gif)
CAS RN: 306974-70-9
GW-1100
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260515 | 5mg | In stock | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS306974-70-9
- Purity/Analytical Methods: >99.0%
306974-70-9 / ethyl 4-[5-[(2-ethoxypyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]benzoate
Basic Information
CAS
306974-70-9
Multi CAS
No
Molecular Formula
C27FH25N4O4S
Molecular Weight
520.600000
Exact Mass
520.158055
InChI
InChI=1S/C27H25FN4O4S/c1-3-35-25(34)20-7-11-23(12-8-20)32-16-21(13-19-14-29-26(30-15-19)36-4-2)24(33)31-27(32)37-17-18-5-9-22(28)10-6-18/h5-12,14-16H,3-4,13,17H2,1-2H3
InChIKey
PTPNCCWOTBBVJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.22
Rotatable bonds
10
H-bond acceptors
9
Molar refractivity
137.76
TPSA
96.2
LogP / Solubility
WLOGP
4.62
MLOGP
4.1
XLogP3
4.7
Consensus LogP
4.47
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
CL 82198 HYDROCHLORIDE
- CAS RN: 307002-71-7
- Product Code: starshine_CAS307002-71-7
- Purity/Analytical method: >99.0%
-
Epitalon
- CAS RN: 307297-39-8
- Product Code: starshine_CAS307297-39-8
- Purity/Analytical method: >99.0%
-
-
ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
- CAS RN: 307307-84-2
- Product Code: SSC-135664
-
Pyrazolo[1,5-a]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-
- CAS RN: 307307-97-7
- Product Code: SSC-135665
-
Pyrazolo[1,5-a]pyridine-3-carboxaldehyde, 4,5,6,7-tetrahydro- (9CI)
- CAS RN: 307308-03-8
- Product Code: SSC-135666
.gif)
.gif)
.gif)
![CAS 307307-84-2 ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/307307-84-2(2).gif)
![CAS 307307-97-7 Pyrazolo[1,5-a]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/307307-97-7(2).gif)
![CAS 307308-03-8 Pyrazolo[1,5-a]pyridine-3-carboxaldehyde, 4,5,6,7-tetrahydro- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/307308-03-8(2).gif)