CAS RN: 401564-34-9
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(3-thiazolidinylcarbonyl)-, 1,1-dimethylethyl ester, (2S,4S)-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-148161
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
401564-34-9 / tert-butyl 4-hydroxy-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
Basic Information
CAS
401564-34-9
Multi CAS
Yes
Molecular Formula
C13H22N2O4S
Molecular Weight
302.390000
Exact Mass
302.130028
InChI
InChI=1S/C13H22N2O4S/c1-13(2,3)19-12(18)15-7-9(16)6-10(15)11(17)14-4-5-20-8-14/h9-10,16H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKey
CABJFRFFUZMDSS-UWVGGRQHSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.39
TPSA
70.08
LogP / Solubility
WLOGP
0.89
MLOGP
0.8
XLogP3
0.7
Consensus LogP
0.8
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 401566-80-1 (2S,4S)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl]-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/401566-80-1.gif)
