CAS RN: 122350-59-8
(2S,4R)-1-((9H-Fluoren-9-yl)methyl) 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate, 97%(HPLC)
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.20250629 | 5g / 10g / 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-025300
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
122350-59-8 / 1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
Basic Information
CAS
122350-59-8
Multi CAS
No
Molecular Formula
C21H21NO5
Molecular Weight
367.400000
Exact Mass
367.141973
SMILES
COC(=O)[C@@H]1C[C@H](CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI
InChI=1S/C21H21NO5/c1-26-20(24)19-10-13(23)11-22(19)21(25)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-19,23H,10-12H2,1H3/t13-,19+/m1/s1
InChIKey
AWCMBJJPVSUPSS-YJYMSZOUSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.2
TPSA
76.07
LogP / Solubility
WLOGP
2.54
MLOGP
2.26
XLogP3
2.7
Consensus LogP
2.5
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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
Yes
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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