![CAS 147118-30-7 4-(4-Fluorophenyl)-6-isopropyl-2-[(Methanesulfonyl)MethylaMino]pyriMidine-5-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147118-30-7.gif)
CAS RN: 147118-30-7
4-(4-Fluorophenyl)-6-isopropyl-2-[(Methanesulfonyl)MethylaMino]pyriMidine-5-carboxylic acid ethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250515 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS147118-30-7
- Purity/Analytical Methods: >99.0%
147118-30-7 / ethyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylate
Basic Information
CAS
147118-30-7
Multi CAS
No
Molecular Formula
C18H22FN3O4S
Molecular Weight
395.500000
Exact Mass
395.131506
SMILES
CCOC(=O)C1=C(N=C(N=C1C(C)C)N(C)S(=O)(=O)C)C2=CC=C(C=C2)F
InChI
InChI=1S/C18H22FN3O4S/c1-6-26-17(23)14-15(11(2)3)20-18(22(4)27(5,24)25)21-16(14)12-7-9-13(19)10-8-12/h7-11H,6H2,1-5H3
InChIKey
TYISRAUZBAYPKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
100.72
TPSA
89.46
LogP / Solubility
WLOGP
2.98
MLOGP
2.64
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol
- CAS RN: 147118-36-3
- Product Code: SSC-057937
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“Methyl(+)-(3-R)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino) pyrimidin-5-yl]-3-hydroxy-5-oxo-6(E)-heptenoate”
- CAS RN: 147118-39-6
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![CAS 147118-36-3 4-(4-Fluorophenyl)-6-isopropyl-2-[(N-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147118-36-3.gif)
![CAS 147118-39-6 “Methyl(+)-(3-R)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino) pyrimidin-5-yl]-3-hydroxy-5-oxo-6(E)-heptenoate” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147118-39-6.gif)
