CAS RN: 99735-46-3
(S)-Methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate
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.20250428 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS99735-46-3
- Purity/Analytical Methods: >99.0%
99735-46-3 / methyl 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate
Basic Information
CAS
99735-46-3
Multi CAS
Yes
Molecular Formula
C14H17NO3
Molecular Weight
247.290000
Exact Mass
247.120843
InChI
InChI=1S/C14H17NO3/c1-10(11-6-4-3-5-7-11)15-9-12(8-13(15)16)14(17)18-2/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKey
BENQIPNJLDAXAT-PWSUYJOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
66.69
TPSA
46.61
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.2
Consensus LogP
1.51
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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