CAS RN: 142896-75-1
D-Proline, 4-hydroxy-2-methyl-, trans- (9CI)
- Product code: SSC-054177
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
142896-75-1 / (2R,4S)-4-hydroxy-2-methylpyrrolidine-2-carboxylic acid
Basic Information
CAS
142896-75-1
Multi CAS
No
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
SMILES
C[C@@]1(C[C@@H](CN1)O)C(=O)O
InChI
InChI=1S/C6H11NO3/c1-6(5(9)10)2-4(8)3-7-6/h4,7-8H,2-3H2,1H3,(H,9,10)/t4-,6+/m0/s1
InChIKey
IWARIVJLIISIED-UJURSFKZSA-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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