![CAS 741713-40-6 [4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone(R 547) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/741713-40-6.gif)
CAS RN: 741713-40-6
[4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone(R 547)
Product Availability
Choose a grade to view its available package options.
11 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250624 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS741713-40-6
- Purity/Analytical Methods: >99.0%
741713-40-6 / [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
Basic Information
CAS
741713-40-6
Multi CAS
No
Molecular Formula
C18F2H21N5O4S
Molecular Weight
441.500000
Exact Mass
441.128232
InChI
InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
InChIKey
JRNJNYBQQYBCLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
105.85
TPSA
127.51
LogP / Solubility
WLOGP
1.41
MLOGP
1.27
XLogP3
2.1
Consensus LogP
1.59
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 741717-59-9 [2-(1H-PYRAZOL-1-YL)PHENYL]METHANOL molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
Ethyl 1-(pyridin-3-yl)-1H-pyrazole-4-carboxylate
- CAS RN: 741717-60-2
- Product Code: starshine_CAS741717-60-2
- Purity/Analytical method: >99.0%
-
1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
- CAS RN: 741717-63-5
- Product Code: starshine_CAS741717-63-5
- Purity/Analytical method: >99.0%
-
[3-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]METHYLAMINE
- CAS RN: 741717-66-8
- Product Code: SSC-183604
-
-
![CAS 741717-59-9 [2-(1H-PYRAZOL-1-YL)PHENYL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/741717-59-9.gif)
![CAS 741717-66-8 [3-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]METHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/741717-66-8.gif)
