![CAS 483314-82-5 1-Pyrrolidinecarboxylic acid, 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)Methyl]-, 1,1-diMethylethyl ester, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/483314-82-5.gif)
CAS RN: 483314-82-5
1-Pyrrolidinecarboxylic acid, 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)Methyl]-, 1,1-diMethylethyl ester, (2S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250215 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS483314-82-5
- Purity/Analytical Methods: >99.0%
483314-82-5 / tert-butyl (2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxylate
Basic Information
CAS
483314-82-5
Multi CAS
Yes
Molecular Formula
C18H23N3O3
Molecular Weight
329.400000
Exact Mass
329.173942
InChI
InChI=1S/C18H23N3O3/c1-18(2,3)24-17(22)21-11-7-10-14(21)12-15-19-20-16(23-15)13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3/t14-/m0/s1
InChIKey
NMQOOJNHFJPYAX-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
89.4
TPSA
68.46
LogP / Solubility
WLOGP
3.68
MLOGP
3.25
XLogP3
3.1
Consensus LogP
3.34
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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