CAS RN: 459457-01-3
L-Proline, 4-hydroxy-4-methyl-, (4S)- (9CI)
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.20250210 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS459457-01-3
- Purity/Analytical Methods: >99.0%
459457-01-3 / (2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid
Basic Information
CAS
459457-01-3
Multi CAS
Yes
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
InChI
InChI=1S/C6H11NO3/c1-6(10)2-4(5(8)9)7-3-6/h4,7,10H,2-3H2,1H3,(H,8,9)/t4-,6-/m0/s1
InChIKey
KPCWMMDGZFFCTA-NJGYIYPDSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.67
TPSA
69.56
LogP / Solubility
WLOGP
-0.82
MLOGP
-0.72
XLogP3
-3.2
Consensus LogP
-1.58
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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