![CAS 2170726-27-7 (6S)-5-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-azaspiro[2.4]heptane-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170726-27-7.png)
CAS RN: 2170726-27-7
(6S)-5-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-azaspiro[2.4]heptane-6-carboxylic acid
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.20250806 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-104540
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 | Hong Kong | Inquiry |
2170726-27-7 / (6S)-5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylic acid
Basic Information
CAS
2170726-27-7
Multi CAS
No
Molecular Formula
C22H21NO4
Molecular Weight
363.400000
Exact Mass
363.147058
SMILES
C1CC12C[C@H](N(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H21NO4/c24-20(25)19-11-22(9-10-22)13-23(19)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,24,25)/t19-/m0/s1
InChIKey
MVFGNNLXLDZZLZ-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
99.48
TPSA
66.84
LogP / Solubility
WLOGP
3.87
MLOGP
3.43
XLogP3
3.6
Consensus LogP
3.63
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 2170746-97-9 Spiro[cyclohexane-1,9′(6’H)-pyrazino[1′,2′:1,5]pyrrolo[2,3-d]pyrimidine]-7′(8’H)-carboxylic acid, 5′-hydroxy-2′-(methylthio)-6′-oxo-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170746-97-9.png)
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