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CAS RN: 1353996-89-0
(R)-3-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-ylaMino)-pyrrolidine-1-carboxylic acid tert-butyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260121 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353996-89-0
- Purity/Analytical Methods: >99.0%
1353996-89-0 / tert-butyl (3R)-3-[(6-methoxy-2-methylsulfanylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
Basic Information
CAS
1353996-89-0
Multi CAS
No
Molecular Formula
C15H24N4O3S
Molecular Weight
340.400000
Exact Mass
340.156912
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)NC2=CC(=NC(=N2)SC)OC
InChI
InChI=1S/C15H24N4O3S/c1-15(2,3)22-14(20)19-7-6-10(9-19)16-11-8-12(21-4)18-13(17-11)23-5/h8,10H,6-7,9H2,1-5H3,(H,16,17,18)/t10-/m1/s1
InChIKey
CVFXCTUPGDJWEI-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
90.2
TPSA
76.58
LogP / Solubility
WLOGP
2.63
MLOGP
2.33
XLogP3
2.8
Consensus LogP
2.59
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 1353998-32-9 (S)-1-[1-(3-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-pyrrolidin-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62575593(1).gif)
![CAS 1353999-43-5 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (R)-pyrrolidin-3-ylaMide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12578625(1).gif)
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