![CAS 215190-25-3 1-Piperidineaceticacid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-oxo-,(3S)-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/215190-25-3.gif)
CAS RN: 215190-25-3
1-Piperidineaceticacid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-oxo-,(3S)-(9CI)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-103131
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
215190-25-3 / 2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid
Basic Information
CAS
215190-25-3
Multi CAS
No
Molecular Formula
C22H22N2O5
Molecular Weight
394.400000
Exact Mass
394.152872
SMILES
C1C[C@@H](C(=O)N(C1)CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H22N2O5/c25-20(26)12-24-11-5-10-19(21(24)27)23-22(28)29-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18-19H,5,10-13H2,(H,23,28)(H,25,26)/t19-/m0/s1
InChIKey
WGBORFZFCVWACO-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
105.44
TPSA
95.94
LogP / Solubility
WLOGP
2.6
MLOGP
2.31
XLogP3
2.7
Consensus LogP
2.54
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.28
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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