CAS RN: 1221793-52-7
1,2-Piperidinedicarboxylic acid, 4,4-difluoro-, 1-(9H-fluoren-9-ylmethyl) ester, (2S)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260623 | 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-025173
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 0 Out of Stock | Shanghai | Inquiry |
1221793-52-7 / (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-difluoropiperidine-2-carboxylic acid
Basic Information
CAS
1221793-52-7
Multi CAS
No
Molecular Formula
C21H19F2NO4
Molecular Weight
387.400000
Exact Mass
387.128214
SMILES
C1CN([C@@H](CC1(F)F)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H19F2NO4/c22-21(23)9-10-24(18(11-21)19(25)26)20(27)28-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,25,26)/t18-/m0/s1
InChIKey
KCCWEROYFWUHQL-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.38
TPSA
66.84
LogP / Solubility
WLOGP
4.12
MLOGP
3.65
XLogP3
4
Consensus LogP
3.92
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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