![CAS 503610-43-3 N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503610-43-3.gif)
CAS RN: 503610-43-3
N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-N-methylmethanesulfonamide
Product Availability
Choose a grade to view its available package options.
11 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250518 | 5mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS503610-43-3
- Purity/Analytical Methods: >99.0%
503610-43-3 / N-[4-(4-fluorophenyl)-5-[(E)-2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
Basic Information
CAS
503610-43-3
Multi CAS
Yes
Molecular Formula
C22FH26N3O5S
Molecular Weight
463.500000
Exact Mass
463.157720
InChI
InChI=1S/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1
InChIKey
SOEGVMSNJOCVHT-VEUZHWNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
118.92
TPSA
109.69
LogP / Solubility
WLOGP
2.88
MLOGP
2.57
XLogP3
2.4
Consensus LogP
2.62
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
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)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 503612-76-8 1-(4-Hydroxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-(4-Hydroxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
- CAS RN: 503612-76-8
- Product Code: SSC-156859
-
1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
- CAS RN: 503614-56-0
- Product Code: SSC-156860
-
1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
- CAS RN: 503614-91-3
- Product Code: SSC-156861
-
1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid
- CAS RN: 503614-92-4
- Product Code: SSC-156862
-
ethyl 6-(4-aMinophenyl)-1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
- CAS RN: 503615-07-4
- Product Code: SSC-156864
-
Ethyl difluoro(5-methylpyridin-2-yl)acetate
- CAS RN: 503627-67-6
- Product Code: starshine_CAS503627-67-6
- Purity/Analytical method: >99.0%
![CAS 503612-76-8 1-(4-Hydroxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503612-76-8.gif)
![CAS 503614-56-0 1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503614-56-0.gif)
![CAS 503614-91-3 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503614-91-3.gif)
![CAS 503614-92-4 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503614-92-4.gif)
![CAS 503615-07-4 ethyl 6-(4-aMinophenyl)-1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/503615-07-4.gif)
