![CAS 1354010-01-7 (S)-3-[(3-Methyl-thiophene-2-carbonyl)-aMino]-pyrrolidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62576732(1).gif)
CAS RN: 1354010-01-7
(S)-3-[(3-Methyl-thiophene-2-carbonyl)-aMino]-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.20260216 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1354010-01-7
- Purity/Analytical Methods: >99.0%
1354010-01-7 / tert-butyl (3S)-3-[(3-methylthiophene-2-carbonyl)amino]pyrrolidine-1-carboxylate
Basic Information
CAS
1354010-01-7
Multi CAS
No
Molecular Formula
C15H22N2O3S
Molecular Weight
310.400000
Exact Mass
310.135114
SMILES
CC1=C(SC=C1)C(=O)N[C@H]2CCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H22N2O3S/c1-10-6-8-21-12(10)13(18)16-11-5-7-17(9-11)14(19)20-15(2,3)4/h6,8,11H,5,7,9H2,1-4H3,(H,16,18)/t11-/m0/s1
InChIKey
WZHFWDNNSKXSLY-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.73
TPSA
58.64
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.7
Consensus LogP
2.66
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
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)
-2.63
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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