![CAS 1005342-77-7 (S)-2-[4-(methoxy-methyl-carbamoyl)-thiazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1005342-77-7.gif)
CAS RN: 1005342-77-7
(S)-2-[4-(methoxy-methyl-carbamoyl)-thiazol-2-yl]-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.20260222 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1005342-77-7
- Purity/Analytical Methods: >99.0%
1005342-77-7 / tert-butyl (2S)-2-[4-[methoxy(methyl)carbamoyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
tert-Butyl (S)-2-(4-(methoxy(methyl)carbamoyl)thiazol-2-yl)pyrrolidine-1-carboxylate | SCHEMBL1275274 | (S)-2-[4-(methoxy-methyl-carbamoyl)-thiazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
Basic Information
CAS
1005342-77-7
Multi CAS
Yes
Molecular Formula
C15H23N3O4S
Molecular Weight
341.400000
Exact Mass
341.140927
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC(=CS2)C(=O)N(C)OC
InChI
InChI=1S/C15H23N3O4S/c1-15(2,3)22-14(20)18-8-6-7-11(18)12-16-10(9-23-12)13(19)17(4)21-5/h9,11H,6-8H2,1-5H3/t11-/m0/s1
InChIKey
PZAOLVHWUGBISR-NSHDSACASA-N
Synonyms
tert-Butyl (S)-2-(4-(methoxy(methyl)carbamoyl)thiazol-2-yl)pyrrolidine-1-carboxylate
SCHEMBL1275274
(S)-2-[4-(methoxy-methyl-carbamoyl)-thiazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
CS-0109556
D76875
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
86.13
TPSA
71.97
LogP / Solubility
WLOGP
2.85
MLOGP
2.52
XLogP3
2
Consensus LogP
2.46
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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