CAS RN: 51163-88-3
D-Proline, 4-hydroxy-5-oxo-, methyl ester, (4R)-rel- (9CI)
- Product code: SSC-157988
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
51163-88-3 / methyl (2S,4S)-4-hydroxy-5-oxopyrrolidine-2-carboxylate
Basic Information
CAS
51163-88-3
Multi CAS
Yes
Molecular Formula
C6H9NO4
Molecular Weight
159.140000
Exact Mass
159.053158
InChI
InChI=1S/C6H9NO4/c1-11-6(10)3-2-4(8)5(9)7-3/h3-4,8H,2H2,1H3,(H,7,9)/t3-,4-/m0/s1
InChIKey
OKJQBJHYKVHRIS-IMJSIDKUSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
34.57
TPSA
75.63
LogP / Solubility
WLOGP
-1.59
MLOGP
-1.41
XLogP3
-1
Consensus LogP
-1.33
Log S (ESOL)
0.24
Class (ESOL)
Highly soluble
Log S (Ali)
0.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.51
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
SUBSTANCE P (7-11)
- CAS RN: 51165-05-0
- Product Code: starshine_CAS51165-05-0
- Purity/Analytical method: >99.0%
-
-
-
-
-
